V007-9604 Screening compound: 2-({[3-(trifluoromethyl)benzoyl]amino}methyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,3-benzimidazole-5-carboxylic acid

V007-9604 Screening compound: 2-({[3-(trifluoromethyl)benzoyl]amino}methyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,3-benzimidazole-5-carboxylic acid
V007-9604 Screening compound: 2-({[3-(trifluoromethyl)benzoyl]amino}methyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,3-benzimidazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9604
2-({[3-(trifluoromethyl)benzoyl]amino}methyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,3-benzimidazole-5-carboxylic acid

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

V007-9604

Molecular Formula

C25H17F6N3O3 (C25 H17 F6 N3 O3)

Compound Name

2-({[3-(trifluoromethyl)benzoyl]amino}methyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,3-benzimidazole-5-carboxylic acid

IUPAC name

2-({[3-(trifluoromethyl)phenyl]formamido}methyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-13-benzodiazole-5-carboxylic acid

SMILES

OC(c(cc1)cc2c1n(Cc1cc(C(F)(F)F)ccc1)c(CNC(c1cccc(C(F)(F)F)c1)=O)n2)=O

InChI

InChI=1S/C25H17F6N3O3/c26-24(27,28)17-5-1-3-14(9-17)13-34-20-8-7-16(23(36)37)11-19(20)33-21(34)12-32-22(35)15-4-2-6-18(10-15)25(29,30)31/h1-11H,12-13H2,(H,32,35)(H,36,37)

InChI Key

SNLRUJLJIHQKCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27500247

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.837

Distribution Coefficient, logD

3.639

Water Solubility, LogSw

-6.03

Polar Surface Area

63.965

Acid Dissociation Constant (pKa)

5.20

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V007-9604 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V007-9604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9604?
Check Price and Availability of V007-9604, 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 V007-9604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9604
  • 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 V007-9604 available by request