2681-3525 Screening compound: methyl 4-[(2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate

2681-3525 Screening compound: methyl 4-[(2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate
2681-3525 Screening compound: methyl 4-[(2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3525
methyl 4-[(2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate

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

2681-3525

Molecular Formula

C24H17ClFN3O6 (C24 H17 ClFN3 O6)

Compound Name

methyl 4-[(2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate

IUPAC name

methyl 4-[(2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate

SMILES

COC(c(cc1)ccc1NC(/C(/NC(c(ccc(F)c1)c1Cl)=O)=C/c1cc([N+]([O-])=O)ccc1)=O)=O

InChI

InChI=1S/C24H17ClFN3O6/c1-35-24(32)15-5-8-17(9-6-15)27-23(31)21(12-14-3-2-4-18(11-14)29(33)34)28-22(30)19-10-7-16(26)13-20(19)25/h2-13H,1H3,(H,27,31)(H,28,30)

InChI Key

IRVXBTJKNQTMBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.87

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-5.11

Polar Surface Area

99.810

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

2681-3525 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 2681-3525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3525?
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What is the minimum amount of 2681-3525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3525
  • 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 2681-3525 available by request