8004-1489 Screening compound: 4-bromo-2-[(E)-{[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]imino}methyl]phenyl 4-nitrobenzoate

8004-1489 Screening compound: 4-bromo-2-[(E)-{[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]imino}methyl]phenyl 4-nitrobenzoate
8004-1489 Screening compound: 4-bromo-2-[(E)-{[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]imino}methyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1489
4-bromo-2-[(E)-{[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]imino}methyl]phenyl 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

8004-1489

Molecular Formula

C30H19BrClN5O8 (C30 H19 BrClN5 O8)

Compound Name

4-bromo-2-[(E)-{[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]imino}methyl]phenyl 4-nitrobenzoate

IUPAC name

4-bromo-2-[(E)-{[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]imino}methyl]phenyl 4-nitrobenzoate

SMILES

[O-][N+](c1ccc(/C=C(\C(N/N=C/c(cc(cc2)Br)c2OC(c(cc2)ccc2[N+]([O-])=O)=O)=O)/NC(c(cccc2)c2Cl)=O)cc1)=O

InChI

InChI=1S/C30H19BrClN5O8/c31-21-9-14-27(45-30(40)19-7-12-23(13-8-19)37(43)44)20(16-21)17-33-35-29(39)26(15-18-5-10-22(11-6-18)36(41)42)34-28(38)24-3-1-2-4-25(24)32/h1-17H,(H,34,38)(H,35,39)

InChI Key

RCUBQJOZSCOKMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

692.87

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

6.648

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-6.23

Polar Surface Area

144.706

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-1489 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

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 8004-1489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1489?
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What is the minimum amount of 8004-1489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1489
  • 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 8004-1489 available by request