V008-8642 Screening compound: 1-{4'-phenoxy-[1,1'-biphenyl]-3-yl}-N-[(thiophen-2-yl)methyl]-1H-imidazole-5-carboxamide

V008-8642 Screening compound: 1-{4'-phenoxy-[1,1'-biphenyl]-3-yl}-N-[(thiophen-2-yl)methyl]-1H-imidazole-5-carboxamide
V008-8642 Screening compound: 1-{4'-phenoxy-[1,1'-biphenyl]-3-yl}-N-[(thiophen-2-yl)methyl]-1H-imidazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8642
1-{4'-phenoxy-[1,1'-biphenyl]-3-yl}-N-[(thiophen-2-yl)methyl]-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

V008-8642

Molecular Formula

C27H21N3O2S (C27 H21 N3 O2 S)

Compound Name

1-{4'-phenoxy-[1,1'-biphenyl]-3-yl}-N-[(thiophen-2-yl)methyl]-1H-imidazole-5-carboxamide

IUPAC name

1-{4'-phenoxy-[11'-biphenyl]-3-yl}-N-[(thiophen-2-yl)methyl]-1H-imidazole-5-carboxamide

SMILES

O=C(c1cncn1-c1cc(-c(cc2)ccc2Oc2ccccc2)ccc1)NCc1cccs1

InChI

InChI=1S/C27H21N3O2S/c31-27(29-17-25-10-5-15-33-25)26-18-28-19-30(26)22-7-4-6-21(16-22)20-11-13-24(14-12-20)32-23-8-2-1-3-9-23/h1-16,18-19H,17H2,(H,29,31)

InChI Key

WADCVVQDLZYPJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464854

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.247

Distribution Coefficient, logD

6.247

Water Solubility, LogSw

-6.05

Polar Surface Area

43.024

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

V008-8642 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V008-8642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8642?
Check Price and Availability of V008-8642, 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 V008-8642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8642
  • 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 V008-8642 available by request