1950-0131 Screening compound: 3-benzoyl-8-methyl-1,2-bis(propane-1-sulfonyl)indolizine

1950-0131 Screening compound: 3-benzoyl-8-methyl-1,2-bis(propane-1-sulfonyl)indolizine
1950-0131 Screening compound: 3-benzoyl-8-methyl-1,2-bis(propane-1-sulfonyl)indolizine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1950-0131
3-benzoyl-8-methyl-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

1950-0131

Molecular Formula

C22H25NO5S2 (C22 H25 NO5 S2)

Compound Name

3-benzoyl-8-methyl-1,2-bis(propane-1-sulfonyl)indolizine

IUPAC name

3-benzoyl-8-methyl-12-bis(propane-1-sulfonyl)indolizine

SMILES

CCCS(c1c(C(c2ccccc2)=O)n(cccc2C)c2c1S(CCC)(=O)=O)(=O)=O

InChI

InChI=1S/C22H25NO5S2/c1-4-14-29(25,26)21-18-16(3)10-9-13-23(18)19(22(21)30(27,28)15-5-2)20(24)17-11-7-6-8-12-17/h6-13H,4-5,14-15H2,1-3H3

InChI Key

KLYKFJHPBWBPMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00689808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.122

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.21

Polar Surface Area

70.012

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

1950-0131 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1950-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1950-0131?
Check Price and Availability of 1950-0131, 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 1950-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1950-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1950-0131
  • 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 1950-0131 available by request