V015-5350 Screening compound: ethyl 4-(4-{[(adamantan-1-yl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V015-5350 Screening compound: ethyl 4-(4-{[(adamantan-1-yl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V015-5350 Screening compound: ethyl 4-(4-{[(adamantan-1-yl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-5350
ethyl 4-(4-{[(adamantan-1-yl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V015-5350

Molecular Formula

C27H36N4O3S (C27 H36 N4 O3 S)

Compound Name

ethyl 4-(4-{[(adamantan-1-yl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-{[(adamantan-1-yl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c(cc1)ccc1NC(NC1(CC(C2)C3)CC3CC2C1)=O)N1)C(OCC)=O)C1=S

InChI

InChI=1S/C27H36N4O3S/c1-4-31-16(3)22(24(32)34-5-2)23(29-26(31)35)20-6-8-21(9-7-20)28-25(33)30-27-13-17-10-18(14-27)12-19(11-17)15-27/h6-9,17-19,23H,4-5,10-15H2,1-3H3,(H,29,35)(H2,28,30,33)/t17?,18?,19?,23-,27?/m1/s1

InChI Key

BOVLYUJMCDLTBV-ZTYFUTMOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.208

Distribution Coefficient, logD

5.207

Water Solubility, LogSw

-5.07

Polar Surface Area

68.546

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.30

V015-5350 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with V015-5350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-5350?
Check Price and Availability of V015-5350, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V015-5350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-5350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-5350
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V015-5350 available by request