V029-6469 Screening compound: N-methyl-N-(prop-2-en-1-yl)-1-[3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide

V029-6469 Screening compound: N-methyl-N-(prop-2-en-1-yl)-1-[3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide
V029-6469 Screening compound: N-methyl-N-(prop-2-en-1-yl)-1-[3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6469
N-methyl-N-(prop-2-en-1-yl)-1-[3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide

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

V029-6469

Molecular Formula

C21H18F3N3O2 (C21 H18 F3 N3 O2)

Compound Name

N-methyl-N-(prop-2-en-1-yl)-1-[3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide

IUPAC name

N-methyl-N-(prop-2-en-1-yl)-1-[3'-(trifluoromethoxy)-[11'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide

SMILES

CN(CC=C)C(c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1)=O

InChI

InChI=1S/C21H18F3N3O2/c1-3-10-26(2)20(28)19-13-25-14-27(19)17-8-4-6-15(11-17)16-7-5-9-18(12-16)29-21(22,23)24/h3-9,11-14H,1,10H2,2H3

InChI Key

KJNTWNDOXWFGNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19942867

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.785

Distribution Coefficient, logD

4.782

Water Solubility, LogSw

-4.43

Polar Surface Area

33.182

Acid Dissociation Constant (pKa)

30.88

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V029-6469 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V029-6469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6469?
Check Price and Availability of V029-6469, 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 V029-6469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6469
  • 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 V029-6469 available by request