V003-4699 Screening compound: N-benzyl-6-tert-butyl-N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidin-4-amine

V003-4699 Screening compound: N-benzyl-6-tert-butyl-N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidin-4-amine
V003-4699 Screening compound: N-benzyl-6-tert-butyl-N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4699
N-benzyl-6-tert-butyl-N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidin-4-amine

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

V003-4699

Molecular Formula

C27H35N5O2S (C27 H35 N5 O2 S)

Compound Name

N-benzyl-6-tert-butyl-N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidin-4-amine

IUPAC name

N-benzyl-6-tert-butyl-N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidin-4-amine

SMILES

CC(C)(C)c1nc(SCc2ccc(C(N3CCN(C)CC3)=O)o2)nc(N(C)Cc2ccccc2)c1

InChI

InChI=1S/C27H35N5O2S/c1-27(2,3)23-17-24(31(5)18-20-9-7-6-8-10-20)29-26(28-23)35-19-21-11-12-22(34-21)25(33)32-15-13-30(4)14-16-32/h6-12,17H,13-16,18-19H2,1-5H3

InChI Key

FPGDMHXIOAALOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819023

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.413

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.33

Polar Surface Area

47.644

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

V003-4699 in Drug Discovery

Included in Screening Libraries

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 V003-4699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4699?
Check Price and Availability of V003-4699, 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 V003-4699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4699
  • 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 V003-4699 available by request