V003-3231 Screening compound: N-cyclopropyl-2-({[5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V003-3231 Screening compound: N-cyclopropyl-2-({[5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V003-3231 Screening compound: N-cyclopropyl-2-({[5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3231
N-cyclopropyl-2-({[5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-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

V003-3231

Molecular Formula

C23H23F3N4OS (C23 H23 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(n1-c2cc(C(F)(F)F)ccc2)nnc1SCc(cccc1)c1C(NC1CC1)=O

InChI

InChI=1S/C23H23F3N4OS/c1-14(2)20-28-29-22(30(20)18-8-5-7-16(12-18)23(24,25)26)32-13-15-6-3-4-9-19(15)21(31)27-17-10-11-17/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,27,31)

InChI Key

SPCSBSSDOYFXQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27625626

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.358

Distribution Coefficient, logD

5.358

Water Solubility, LogSw

-5.45

Polar Surface Area

49.454

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

V003-3231 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V003-3231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3231?
Check Price and Availability of V003-3231, 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 V003-3231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3231
  • 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 V003-3231 available by request