V004-4943 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-cyanobenzene-1-sulfonate

V004-4943 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-cyanobenzene-1-sulfonate
V004-4943 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-cyanobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4943
2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-cyanobenzene-1-sulfonate

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

V004-4943

Molecular Formula

C20H11N3O6S (C20 H11 N3 O6 S)

Compound Name

2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-cyanobenzene-1-sulfonate

IUPAC name

2-(13-benzoxazol-2-yl)-4-nitrophenyl 2-cyanobenzene-1-sulfonate

SMILES

N#Cc(cccc1)c1S(Oc(ccc([N+]([O-])=O)c1)c1-c1nc(cccc2)c2o1)(=O)=O

InChI

InChI=1S/C20H11N3O6S/c21-12-13-5-1-4-8-19(13)30(26,27)29-17-10-9-14(23(24)25)11-15(17)20-22-16-6-2-3-7-18(16)28-20/h1-11H

InChI Key

ZIQDXCGQQCYVJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19800981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-4.26

Polar Surface Area

103.335

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

V004-4943 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with V004-4943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4943?
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What is the minimum amount of V004-4943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4943
  • 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 V004-4943 available by request