4695-2604 Screening compound: 2-(2,4-dichlorophenyl)-2-oxoethyl 2-(2-benzenesulfonamidoacetamido)acetate

4695-2604 Screening compound: 2-(2,4-dichlorophenyl)-2-oxoethyl 2-(2-benzenesulfonamidoacetamido)acetate
4695-2604 Screening compound: 2-(2,4-dichlorophenyl)-2-oxoethyl 2-(2-benzenesulfonamidoacetamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-2604
2-(2,4-dichlorophenyl)-2-oxoethyl 2-(2-benzenesulfonamidoacetamido)acetate

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

4695-2604

Molecular Formula

C18H16Cl2N2O6S (C18 H16 Cl2 N2 O6 S)

Compound Name

2-(2,4-dichlorophenyl)-2-oxoethyl 2-(2-benzenesulfonamidoacetamido)acetate

IUPAC name

2-(24-dichlorophenyl)-2-oxoethyl 2-(2-benzenesulfonamidoacetamido)acetate

SMILES

O=C(COC(CNC(CNS(c1ccccc1)(=O)=O)=O)=O)c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C18H16Cl2N2O6S/c19-12-6-7-14(15(20)8-12)16(23)11-28-18(25)10-21-17(24)9-22-29(26,27)13-4-2-1-3-5-13/h1-8,22H,9-11H2,(H,21,24)

InChI Key

BWJCKNNLRZTWDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-3.71

Polar Surface Area

100.249

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4695-2604 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4695-2604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-2604?
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What is the minimum amount of 4695-2604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-2604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-2604
  • 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 4695-2604 available by request