2202-0888 Screening compound: 4-[4-(3-methyl-4-nitrobenzoyloxy)benzenesulfonyl]phenyl 3-methyl-4-nitrobenzoate

2202-0888 Screening compound: 4-[4-(3-methyl-4-nitrobenzoyloxy)benzenesulfonyl]phenyl 3-methyl-4-nitrobenzoate
2202-0888 Screening compound: 4-[4-(3-methyl-4-nitrobenzoyloxy)benzenesulfonyl]phenyl 3-methyl-4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2202-0888
4-[4-(3-methyl-4-nitrobenzoyloxy)benzenesulfonyl]phenyl 3-methyl-4-nitrobenzoate

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

2202-0888

Molecular Formula

C28H20N2O10S (C28 H20 N2 O10 S)

Compound Name

4-[4-(3-methyl-4-nitrobenzoyloxy)benzenesulfonyl]phenyl 3-methyl-4-nitrobenzoate

IUPAC name

4-[4-(3-methyl-4-nitrobenzoyloxy)benzenesulfonyl]phenyl 3-methyl-4-nitrobenzoate

SMILES

Cc(cc(cc1)C(Oc(cc2)ccc2S(c(cc2)ccc2OC(c(cc2)cc(C)c2[N+]([O-])=O)=O)(=O)=O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C28H20N2O10S/c1-17-15-19(3-13-25(17)29(33)34)27(31)39-21-5-9-23(10-6-21)41(37,38)24-11-7-22(8-12-24)40-28(32)20-4-14-26(30(35)36)18(2)16-20/h3-16H,1-2H3

InChI Key

BBPJLAMFJQDKNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01360274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.54

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

5.982

Distribution Coefficient, logD

5.982

Water Solubility, LogSw

-5.55

Polar Surface Area

136.656

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2202-0888 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 2202-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2202-0888?
Check Price and Availability of 2202-0888, 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 2202-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2202-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2202-0888
  • 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 2202-0888 available by request