V027-1813 Screening compound: 3-benzyl-4-(2-fluorophenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V027-1813 Screening compound: 3-benzyl-4-(2-fluorophenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V027-1813 Screening compound: 3-benzyl-4-(2-fluorophenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-1813
3-benzyl-4-(2-fluorophenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

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

V027-1813

Molecular Formula

C27H25FN4OS (C27 H25 FN4 OS)

Compound Name

3-benzyl-4-(2-fluorophenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

IUPAC name

3-benzyl-4-(2-fluorophenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

O=C(c1ccc(CSc2nnc(Cc3ccccc3)n2-c(cccc2)c2F)cc1)N1CCCC1

InChI

InChI=1S/C27H25FN4OS/c28-23-10-4-5-11-24(23)32-25(18-20-8-2-1-3-9-20)29-30-27(32)34-19-21-12-14-22(15-13-21)26(33)31-16-6-7-17-31/h1-5,8-15H,6-7,16-19H2

InChI Key

WTDVIXZVCGUICX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791963

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.34

Polar Surface Area

42.402

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V027-1813 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V027-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-1813?
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What is the minimum amount of V027-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-1813
  • 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 V027-1813 available by request