5139-0075 Screening compound: 3-(4-chlorobenzoyl)-7-ethyl-1,2-bis(propane-1-sulfonyl)indolizine

5139-0075 Screening compound: 3-(4-chlorobenzoyl)-7-ethyl-1,2-bis(propane-1-sulfonyl)indolizine
5139-0075 Screening compound: 3-(4-chlorobenzoyl)-7-ethyl-1,2-bis(propane-1-sulfonyl)indolizine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5139-0075
3-(4-chlorobenzoyl)-7-ethyl-1,2-bis(propane-1-sulfonyl)indolizine

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

5139-0075

Molecular Formula

C23H26ClNO5S2 (C23 H26 ClNO5 S2)

Compound Name

3-(4-chlorobenzoyl)-7-ethyl-1,2-bis(propane-1-sulfonyl)indolizine

IUPAC name

3-(4-chlorobenzoyl)-7-ethyl-12-bis(propane-1-sulfonyl)indolizine

SMILES

CCCS(c1c(cc(CC)cc2)n2c(C(c(cc2)ccc2Cl)=O)c1S(CCC)(=O)=O)(=O)=O

InChI

InChI=1S/C23H26ClNO5S2/c1-4-13-31(27,28)22-19-15-16(6-3)11-12-25(19)20(23(22)32(29,30)14-5-2)21(26)17-7-9-18(24)10-8-17/h7-12,15H,4-6,13-14H2,1-3H3

InChI Key

MTLZDIZGKXZIRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.393

Distribution Coefficient, logD

4.393

Water Solubility, LogSw

-4.60

Polar Surface Area

70.236

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

5139-0075 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5139-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5139-0075?
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What is the minimum amount of 5139-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5139-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5139-0075
  • 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 5139-0075 available by request