1488-0202 Screening compound: ethyl 4-{4-[bis(2-chloroethyl)sulfamoyl]benzamido}benzoate

1488-0202 Screening compound: ethyl 4-{4-[bis(2-chloroethyl)sulfamoyl]benzamido}benzoate
1488-0202 Screening compound: ethyl 4-{4-[bis(2-chloroethyl)sulfamoyl]benzamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1488-0202
ethyl 4-{4-[bis(2-chloroethyl)sulfamoyl]benzamido}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

1488-0202

Molecular Formula

C20H22Cl2N2O5S (C20 H22 Cl2 N2 O5 S)

Compound Name

ethyl 4-{4-[bis(2-chloroethyl)sulfamoyl]benzamido}benzoate

IUPAC name

ethyl 4-{4-[bis(2-chloroethyl)sulfamoyl]benzamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)ccc1S(N(CCCl)CCCl)(=O)=O)=O)=O

InChI

InChI=1S/C20H22Cl2N2O5S/c1-2-29-20(26)16-3-7-17(8-4-16)23-19(25)15-5-9-18(10-6-15)30(27,28)24(13-11-21)14-12-22/h3-10H,2,11-14H2,1H3,(H,23,25)

InChI Key

AWBKOPCVKASPSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.03

Polar Surface Area

75.687

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1488-0202 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1488-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1488-0202?
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What is the minimum amount of 1488-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1488-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1488-0202
  • 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 1488-0202 available by request