8003-0275 Screening compound: 4-[4-(3-{[4-(3,4-dicarboxyphenoxy)phenyl]carbamoyl}-5-(4-nitrobenzamido)benzamido)phenoxy]benzene-1,2-dicarboxylic acid

8003-0275 Screening compound: 4-[4-(3-{[4-(3,4-dicarboxyphenoxy)phenyl]carbamoyl}-5-(4-nitrobenzamido)benzamido)phenoxy]benzene-1,2-dicarboxylic acid
8003-0275 Screening compound: 4-[4-(3-{[4-(3,4-dicarboxyphenoxy)phenyl]carbamoyl}-5-(4-nitrobenzamido)benzamido)phenoxy]benzene-1,2-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0275
4-[4-(3-{[4-(3,4-dicarboxyphenoxy)phenyl]carbamoyl}-5-(4-nitrobenzamido)benzamido)phenoxy]benzene-1,2-dicarboxylic 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

8003-0275

Molecular Formula

C43H28N4O15 (C43 H28 N4 O15)

Compound Name

4-[4-(3-{[4-(3,4-dicarboxyphenoxy)phenyl]carbamoyl}-5-(4-nitrobenzamido)benzamido)phenoxy]benzene-1,2-dicarboxylic acid

IUPAC name

4-[4-(3-{[4-(34-dicarboxyphenoxy)phenyl]carbamoyl}-5-(4-nitrobenzamido)benzamido)phenoxy]benzene-12-dicarboxylic acid

SMILES

[O-][N+](c(cc1)ccc1C(Nc1cc(C(Nc(cc2)ccc2Oc(cc2)cc(C(O)=O)c2C(O)=O)=O)cc(C(Nc(cc2)ccc2Oc(cc2)cc(C(O)=O)c2C(O)=O)=O)c1)=O)=O

InChI

InChI=1S/C43H28N4O15/c48-37(22-1-7-28(8-2-22)47(59)60)46-27-18-23(38(49)44-25-3-9-29(10-4-25)61-31-13-15-33(40(51)52)35(20-31)42(55)56)17-24(19-27)39(50)45-26-5-11-30(12-6-26)62-32-14-16-34(41(53)54)36(21-32)43(57)58/h1-21H,(H,44,49)(H,45,50)(H,46,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)

InChI Key

CRSWKLQWDJUVNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00303941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

840.71

Hydrogen Bond Acceptors Count

24.00

Hydrogen Bond Donors Count

7.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

19

Partition Coefficient, logP

7.445

Distribution Coefficient, logD

3.236

Water Solubility, LogSw

-5.98

Polar Surface Area

230.022

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-0275 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8003-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0275?
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What is the minimum amount of 8003-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0275
  • 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 8003-0275 available by request