V009-6612 Screening compound: 2-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-2-phenylacetamide

V009-6612 Screening compound: 2-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-2-phenylacetamide
V009-6612 Screening compound: 2-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6612
2-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-2-phenylacetamide

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

V009-6612

Molecular Formula

C27H24ClF3N4O3 (C27 H24 ClF3 N4 O3)

Compound Name

2-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-2-phenylacetamide

IUPAC name

2-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl]phenyl}-2-phenylacetamide

SMILES

CCOCCOc(nc1-c2ccc(C(F)(F)F)cc2)nn1-c(cc1)ccc1NC(C(c1ccccc1)Cl)=O

InChI

InChI=1S/C27H24ClF3N4O3/c1-2-37-16-17-38-26-33-24(19-8-10-20(11-9-19)27(29,30)31)35(34-26)22-14-12-21(13-15-22)32-25(36)23(28)18-6-4-3-5-7-18/h3-15,23H,2,16-17H2,1H3,(H,32,36)/t23-/m1/s1

InChI Key

KXOMJASMZPPELK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19750246

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.262

Distribution Coefficient, logD

6.262

Water Solubility, LogSw

-5.82

Polar Surface Area

62.176

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V009-6612 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-6612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6612?
Check Price and Availability of V009-6612, 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 V009-6612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6612
  • 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 V009-6612 available by request