V024-9699 Screening compound: 3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide

V024-9699 Screening compound: 3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide
V024-9699 Screening compound: 3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9699
3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide

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

V024-9699

Molecular Formula

C33H39N5O3S (C33 H39 N5 O3 S)

Compound Name

3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide

IUPAC name

3-{[(4-tert-butyl-6-{[2-(34-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide

SMILES

CC(C)(C)c1nc(SCc2cc(C(NCc3cnccc3)=O)ccc2)nc(N(C)CCc(cc2)cc(OC)c2OC)c1

InChI

InChI=1S/C33H39N5O3S/c1-33(2,3)29-19-30(38(4)16-14-23-12-13-27(40-5)28(18-23)41-6)37-32(36-29)42-22-24-9-7-11-26(17-24)31(39)35-21-25-10-8-15-34-20-25/h7-13,15,17-20H,14,16,21-22H2,1-6H3,(H,35,39)

InChI Key

AVKYWINRBJPOCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836639

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

585.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.555

Distribution Coefficient, logD

5.548

Water Solubility, LogSw

-5.11

Polar Surface Area

68.849

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V024-9699 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V024-9699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9699?
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What is the minimum amount of V024-9699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9699
  • 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 V024-9699 available by request