V024-9554 Screening compound: 5-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]furan-2-carboxamide

V024-9554 Screening compound: 5-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]furan-2-carboxamide
V024-9554 Screening compound: 5-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9554
5-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]furan-2-carboxamide

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

V024-9554

Molecular Formula

C29H33N5O2S (C29 H33 N5 O2 S)

Compound Name

5-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]furan-2-carboxamide

IUPAC name

5-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]furan-2-carboxamide

SMILES

CC(C)(C)c1nc(SCc2ccc(C(NCCc3ncccc3)=O)o2)nc(N(C)Cc2ccccc2)c1

InChI

InChI=1S/C29H33N5O2S/c1-29(2,3)25-18-26(34(4)19-21-10-6-5-7-11-21)33-28(32-25)37-20-23-13-14-24(36-23)27(35)31-17-15-22-12-8-9-16-30-22/h5-14,16,18H,15,17,19-20H2,1-4H3,(H,31,35)

InChI Key

VSANHDWDXWDRDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818688

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.956

Distribution Coefficient, logD

5.912

Water Solubility, LogSw

-5.42

Polar Surface Area

61.318

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V024-9554 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V024-9554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9554?
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What is the minimum amount of V024-9554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9554
  • 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 V024-9554 available by request