V030-1353 Screening compound: N-cyclopropyl-2-({[4-(4-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V030-1353 Screening compound: N-cyclopropyl-2-({[4-(4-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V030-1353 Screening compound: N-cyclopropyl-2-({[4-(4-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1353
N-cyclopropyl-2-({[4-(4-fluorophenyl)-5-(4-methylphenyl)-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

V030-1353

Molecular Formula

C26H23FN4OS (C26 H23 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(n1-c(cc2)ccc2F)nnc1SCc(cccc1)c1C(NC1CC1)=O

InChI

InChI=1S/C26H23FN4OS/c1-17-6-8-18(9-7-17)24-29-30-26(31(24)22-14-10-20(27)11-15-22)33-16-19-4-2-3-5-23(19)25(32)28-21-12-13-21/h2-11,14-15,21H,12-13,16H2,1H3,(H,28,32)

InChI Key

XCVACHWSONTAKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633787

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.824

Distribution Coefficient, logD

5.824

Water Solubility, LogSw

-5.50

Polar Surface Area

49.182

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V030-1353 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V030-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1353?
Check Price and Availability of V030-1353, 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 V030-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1353
  • 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 V030-1353 available by request