V003-4633 Screening compound: N-benzyl-3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide

V003-4633 Screening compound: N-benzyl-3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide
V003-4633 Screening compound: N-benzyl-3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4633
N-benzyl-3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide

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

V003-4633

Molecular Formula

C33H38N4O3S (C33 H38 N4 O3 S)

Compound Name

N-benzyl-3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide

IUPAC name

N-benzyl-3-{[(4-{[2-(34-dimethoxyphenyl)ethyl](methyl)amino}-56-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide

SMILES

Cc(c(C)n1)c(N(C)CCc(cc2)cc(OC)c2OC)nc1SCc1cc(C(N(C)Cc2ccccc2)=O)ccc1

InChI

InChI=1S/C33H38N4O3S/c1-23-24(2)34-33(35-31(23)36(3)18-17-25-15-16-29(39-5)30(20-25)40-6)41-22-27-13-10-14-28(19-27)32(38)37(4)21-26-11-8-7-9-12-26/h7-16,19-20H,17-18,21-22H2,1-6H3

InChI Key

SLEUVKCHIOTPDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835974

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

570.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.796

Distribution Coefficient, logD

5.776

Water Solubility, LogSw

-5.51

Polar Surface Area

52.114

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

V003-4633 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V003-4633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4633?
Check Price and Availability of V003-4633, 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 V003-4633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4633
  • 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 V003-4633 available by request