E975-1122 Screening compound: 6-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

E975-1122 Screening compound: 6-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
E975-1122 Screening compound: 6-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-1122
6-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

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

E975-1122

Molecular Formula

C22H24ClN3O5S (C22 H24 ClN3 O5 S)

Compound Name

6-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(CCS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C22H24ClN3O5S/c1-15-3-4-16(23)13-19(15)25-8-10-26(11-9-25)21(27)7-12-32(29,30)17-5-6-18-20(14-17)31-22(28)24(18)2/h3-6,13-14H,7-12H2,1-2H3

InChI Key

SQSUWDGOUUOKBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

2.632

Water Solubility, LogSw

-3.44

Polar Surface Area

71.221

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E975-1122 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E975-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-1122?
Check Price and Availability of E975-1122, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E975-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-1122
  • 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 E975-1122 available by request