V007-3668 Screening compound: 3-[(2-{[(4-fluorophenyl)sulfonyl]imino}-1,3-thiazol-3-yl)methyl]-N~1~-(2-furylmethyl)benzamide

V007-3668 Screening compound: 3-[(2-{[(4-fluorophenyl)sulfonyl]imino}-1,3-thiazol-3-yl)methyl]-N~1~-(2-furylmethyl)benzamide
V007-3668 Screening compound: 3-[(2-{[(4-fluorophenyl)sulfonyl]imino}-1,3-thiazol-3-yl)methyl]-N~1~-(2-furylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-3668
3-[(2-{[(4-fluorophenyl)sulfonyl]imino}-1,3-thiazol-3-yl)methyl]-N~1~-(2-furylmethyl)benzamide

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

V007-3668

Molecular Formula

C22H18FN3O4S2 (C22 H18 FN3 O4 S2)

Compound Name

3-[(2-{[(4-fluorophenyl)sulfonyl]imino}-1,3-thiazol-3-yl)methyl]-N~1~-(2-furylmethyl)benzamide

IUPAC name

3-{[(2Z)-2-[(4-fluorobenzenesulfonyl)imino]-23-dihydro-13-thiazol-3-yl]methyl}-N-[(furan-2-yl)methyl]benzamide

SMILES

O=C(c1cccc(CN(C=CS2)/C2=N/S(c(cc2)ccc2F)(=O)=O)c1)NCc1ccco1

InChI

InChI=1S/C22H18FN3O4S2/c23-18-6-8-20(9-7-18)32(28,29)25-22-26(10-12-31-22)15-16-3-1-4-17(13-16)21(27)24-14-19-5-2-11-30-19/h1-13H,14-15H2,(H,24,27)

InChI Key

NMILNMYHPUKYOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19803051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

3.362

Water Solubility, LogSw

-3.76

Polar Surface Area

75.334

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

V007-3668 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V007-3668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-3668?
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What is the minimum amount of V007-3668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-3668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-3668
  • 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 V007-3668 available by request