V027-6063 Screening compound: 2-(1-{[(4-fluoroanilino)carbothioyl]amino}ethyl)-1-(2-furylmethyl)-1H-1,3-benzimidazole-5-carboxylic acid

V027-6063 Screening compound: 2-(1-{[(4-fluoroanilino)carbothioyl]amino}ethyl)-1-(2-furylmethyl)-1H-1,3-benzimidazole-5-carboxylic acid
V027-6063 Screening compound: 2-(1-{[(4-fluoroanilino)carbothioyl]amino}ethyl)-1-(2-furylmethyl)-1H-1,3-benzimidazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6063
2-(1-{[(4-fluoroanilino)carbothioyl]amino}ethyl)-1-(2-furylmethyl)-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

V027-6063

Molecular Formula

C22H19FN4O3S (C22 H19 FN4 O3 S)

Compound Name

2-(1-{[(4-fluoroanilino)carbothioyl]amino}ethyl)-1-(2-furylmethyl)-1H-1,3-benzimidazole-5-carboxylic acid

IUPAC name

2-(1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)-1-[(furan-2-yl)methyl]-1H-13-benzodiazole-5-carboxylic acid

SMILES

CC(c1nc(cc(cc2)C(O)=O)c2n1Cc1ccco1)NC(Nc(cc1)ccc1F)=S

InChI

InChI=1S/C22H19FN4O3S/c1-13(24-22(31)25-16-7-5-15(23)6-8-16)20-26-18-11-14(21(28)29)4-9-19(18)27(20)12-17-3-2-10-30-17/h2-11,13H,12H2,1H3,(H,28,29)(H2,24,25,31)/t13-/m0/s1

InChI Key

ZAOPPPYSICCOIC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD19797496

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

2.517

Water Solubility, LogSw

-4.37

Polar Surface Area

65.632

Acid Dissociation Constant (pKa)

5.20

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.64

V027-6063 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-6063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6063?
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What is the minimum amount of V027-6063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6063
  • 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 V027-6063 available by request