V029-9944 Screening compound: 4-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide

V029-9944 Screening compound: 4-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide
V029-9944 Screening compound: 4-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9944
4-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)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

V029-9944

Molecular Formula

C27H21FN4OS2 (C27 H21 FN4 OS2)

Compound Name

4-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide

IUPAC name

4-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide

SMILES

Cc1cccc(NC(c2ccc(CSc3nnc(-c4cccs4)n3-c(cccc3)c3F)cc2)=O)c1

InChI

InChI=1S/C27H21FN4OS2/c1-18-6-4-7-21(16-18)29-26(33)20-13-11-19(12-14-20)17-35-27-31-30-25(24-10-5-15-34-24)32(27)23-9-3-2-8-22(23)28/h2-16H,17H2,1H3,(H,29,33)

InChI Key

RHADLJOXZPFZHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497919

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.977

Distribution Coefficient, logD

5.977

Water Solubility, LogSw

-5.51

Polar Surface Area

48.521

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

V029-9944 in Drug Discovery

Included in Screening Libraries

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V029-9944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9944?
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What is the minimum amount of V029-9944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9944
  • 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 V029-9944 available by request