V028-1948 Screening compound: 4-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide

V028-1948 Screening compound: 4-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
V028-1948 Screening compound: 4-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1948
4-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-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

V028-1948

Molecular Formula

C27H20ClFN4O2S (C27 H20 ClFN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc2nnc(-c(cccc3)c3Cl)n2-c(cccc2)c2F)cc1)NCc1ccco1

InChI

InChI=1S/C27H20ClFN4O2S/c28-22-8-2-1-7-21(22)25-31-32-27(33(25)24-10-4-3-9-23(24)29)36-17-18-11-13-19(14-12-18)26(34)30-16-20-6-5-15-35-20/h1-15H,16-17H2,(H,30,34)

InChI Key

QZFRDOYAIUECKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785865

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.545

Distribution Coefficient, logD

5.545

Water Solubility, LogSw

-5.74

Polar Surface Area

56.574

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

V028-1948 in Drug Discovery

Included in Screening Libraries

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

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 V028-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1948?
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What is the minimum amount of V028-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1948
  • 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 V028-1948 available by request