V025-3701 Screening compound: 4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide

V025-3701 Screening compound: 4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
V025-3701 Screening compound: 4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-3701
4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)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

V025-3701

Molecular Formula

C27H27N5O3S (C27 H27 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(c1ccc(CSc2nnc(-c(cccc3)c3[N+]([O-])=O)n2-c2ccc(C)cc2)cc1)=O

InChI

InChI=1S/C27H27N5O3S/c1-18(2)16-28-26(33)21-12-10-20(11-13-21)17-36-27-30-29-25(23-6-4-5-7-24(23)32(34)35)31(27)22-14-8-19(3)9-15-22/h4-15,18H,16-17H2,1-3H3,(H,28,33)

InChI Key

OTWHIHZDXIHBCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792310

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-4.60

Polar Surface Area

82.478

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

V025-3701 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 V025-3701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-3701?
Check Price and Availability of V025-3701, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V025-3701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-3701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-3701
  • 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 V025-3701 available by request