V001-7695 Screening compound: N-(butan-2-yl)-4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V001-7695 Screening compound: N-(butan-2-yl)-4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V001-7695 Screening compound: N-(butan-2-yl)-4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-7695
N-(butan-2-yl)-4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-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

V001-7695

Molecular Formula

C26H27N5OS (C26 H27 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(c1ccc(CSc2nnc(-c3ccncc3)n2-c2cc(C)ccc2)cc1)=O

InChI

InChI=1S/C26H27N5OS/c1-4-19(3)28-25(32)22-10-8-20(9-11-22)17-33-26-30-29-24(21-12-14-27-15-13-21)31(26)23-7-5-6-18(2)16-23/h5-16,19H,4,17H2,1-3H3,(H,28,32)/t19-/m0/s1

InChI Key

YJCGHCKYNNXQIJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19782535

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.6

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

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.00

Polar Surface Area

58.267

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V001-7695 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V001-7695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-7695?
Check Price and Availability of V001-7695, 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 V001-7695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-7695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-7695
  • 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 V001-7695 available by request