8003-0752 Screening compound: ethyl 4-[(3E)-3-({[(3-chloro-2-methylphenyl)carbamoyl]formamido}imino)butanamido]benzoate

8003-0752 Screening compound: ethyl 4-[(3E)-3-({[(3-chloro-2-methylphenyl)carbamoyl]formamido}imino)butanamido]benzoate
8003-0752 Screening compound: ethyl 4-[(3E)-3-({[(3-chloro-2-methylphenyl)carbamoyl]formamido}imino)butanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0752
ethyl 4-[(3E)-3-({[(3-chloro-2-methylphenyl)carbamoyl]formamido}imino)butanamido]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

8003-0752

Molecular Formula

C22H23ClN4O5 (C22 H23 ClN4 O5)

Compound Name

ethyl 4-[(3E)-3-({[(3-chloro-2-methylphenyl)carbamoyl]formamido}imino)butanamido]benzoate

IUPAC name

ethyl 4-[(3E)-3-({[(3-chloro-2-methylphenyl)carbamoyl]formamido}imino)butanamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C/C(/C)=N/NC(C(Nc1cccc(Cl)c1C)=O)=O)=O)=O

InChI

InChI=1S/C22H23ClN4O5/c1-4-32-22(31)15-8-10-16(11-9-15)24-19(28)12-13(2)26-27-21(30)20(29)25-18-7-5-6-17(23)14(18)3/h5-11H,4,12H2,1-3H3,(H,24,28)(H,25,29)(H,27,30)

InChI Key

XODHCBOHZZEEHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00733707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.729

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-4.15

Polar Surface Area

101.491

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 8003-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0752?
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What is the minimum amount of 8003-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0752
  • 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 8003-0752 available by request