8002-4602 Screening compound: 4-(1-{4-[(4-nitrobenzenesulfonyl)oxy]phenyl}cyclopentyl)phenyl 4-nitrobenzene-1-sulfonate

8002-4602 Screening compound: 4-(1-{4-[(4-nitrobenzenesulfonyl)oxy]phenyl}cyclopentyl)phenyl 4-nitrobenzene-1-sulfonate
8002-4602 Screening compound: 4-(1-{4-[(4-nitrobenzenesulfonyl)oxy]phenyl}cyclopentyl)phenyl 4-nitrobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4602
4-(1-{4-[(4-nitrobenzenesulfonyl)oxy]phenyl}cyclopentyl)phenyl 4-nitrobenzene-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

8002-4602

Molecular Formula

C29H24N2O10S2 (C29 H24 N2 O10 S2)

Compound Name

4-(1-{4-[(4-nitrobenzenesulfonyl)oxy]phenyl}cyclopentyl)phenyl 4-nitrobenzene-1-sulfonate

IUPAC name

4-(1-{4-[(4-nitrobenzenesulfonyl)oxy]phenyl}cyclopentyl)phenyl 4-nitrobenzene-1-sulfonate

SMILES

[O-][N+](c(cc1)ccc1S(Oc1ccc(C2(CCCC2)c(cc2)ccc2OS(c(cc2)ccc2[N+]([O-])=O)(=O)=O)cc1)(=O)=O)=O

InChI

InChI=1S/C29H24N2O10S2/c32-30(33)23-7-15-27(16-8-23)42(36,37)40-25-11-3-21(4-12-25)29(19-1-2-20-29)22-5-13-26(14-6-22)41-43(38,39)28-17-9-24(10-18-28)31(34)35/h3-18H,1-2,19-20H2

InChI Key

BJVQVDINDXXHEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00311677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.65

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.465

Distribution Coefficient, logD

6.465

Water Solubility, LogSw

-6.21

Polar Surface Area

138.540

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

8002-4602 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8002-4602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4602?
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What is the minimum amount of 8002-4602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4602
  • 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 8002-4602 available by request