V026-6997 Screening compound: N-(3,4-dimethoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V026-6997 Screening compound: N-(3,4-dimethoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V026-6997 Screening compound: N-(3,4-dimethoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6997
N-(3,4-dimethoxyphenyl)-4-({[4-(2-methoxyphenyl)-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

V026-6997

Molecular Formula

C32H30N4O5S (C32 H30 N4 O5 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

COc1cccc(-c(n2-c(cccc3)c3OC)nnc2SCc(cc2)ccc2C(Nc(cc2)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C32H30N4O5S/c1-38-25-9-7-8-23(18-25)30-34-35-32(36(30)26-10-5-6-11-27(26)39-2)42-20-21-12-14-22(15-13-21)31(37)33-24-16-17-28(40-3)29(19-24)41-4/h5-19H,20H2,1-4H3,(H,33,37)

InChI Key

KIQKKBWWTHICQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785830

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

582.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.315

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-5.29

Polar Surface Area

77.938

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

V026-6997 in Drug Discovery

Included in Screening Libraries

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 V026-6997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6997?
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What is the minimum amount of V026-6997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6997
  • 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 V026-6997 available by request