V022-9713 Screening compound: N-(butan-2-yl)-4-({[4-(4-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V022-9713 Screening compound: N-(butan-2-yl)-4-({[4-(4-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V022-9713 Screening compound: N-(butan-2-yl)-4-({[4-(4-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9713
N-(butan-2-yl)-4-({[4-(4-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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

V022-9713

Molecular Formula

C27H27FN4O2S (C27 H27 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(c1ccc(CSc2nnc(-c3cc(OC)ccc3)n2-c(cc2)ccc2F)cc1)=O

InChI

InChI=1S/C27H27FN4O2S/c1-4-18(2)29-26(33)20-10-8-19(9-11-20)17-35-27-31-30-25(21-6-5-7-24(16-21)34-3)32(27)23-14-12-22(28)13-15-23/h5-16,18H,4,17H2,1-3H3,(H,29,33)/t18-/m0/s1

InChI Key

FSWJATGFZCNBQI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19782673

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.64

Polar Surface Area

56.383

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V022-9713 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V022-9713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9713?
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What is the minimum amount of V022-9713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9713
  • 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 V022-9713 available by request