4567-0249 Screening compound: ethyl 4-(2-{N-[(2-chlorophenyl)methyl]4-chlorobenzenesulfonamido}acetyl)piperazine-1-carboxylate

4567-0249 Screening compound: ethyl 4-(2-{N-[(2-chlorophenyl)methyl]4-chlorobenzenesulfonamido}acetyl)piperazine-1-carboxylate
4567-0249 Screening compound: ethyl 4-(2-{N-[(2-chlorophenyl)methyl]4-chlorobenzenesulfonamido}acetyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4567-0249
ethyl 4-(2-{N-[(2-chlorophenyl)methyl]4-chlorobenzenesulfonamido}acetyl)piperazine-1-carboxylate

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

4567-0249

Molecular Formula

C22H25Cl2N3O5S (C22 H25 Cl2 N3 O5 S)

Compound Name

ethyl 4-(2-{N-[(2-chlorophenyl)methyl]4-chlorobenzenesulfonamido}acetyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(2-{N-[(2-chlorophenyl)methyl]4-chlorobenzenesulfonamido}acetyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CN(Cc(cccc1)c1Cl)S(c(cc1)ccc1Cl)(=O)=O)=O)=O

InChI

InChI=1S/C22H25Cl2N3O5S/c1-2-32-22(29)26-13-11-25(12-14-26)21(28)16-27(15-17-5-3-4-6-20(17)24)33(30,31)19-9-7-18(23)8-10-19/h3-10H,2,11-16H2,1H3

InChI Key

VUFGMBRJWUPEGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05040721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-4.17

Polar Surface Area

70.515

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

4567-0249 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 4567-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4567-0249?
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What is the minimum amount of 4567-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4567-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4567-0249
  • 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 4567-0249 available by request