8013-2570 Screening compound: 7-tert-butyl-3-(4-methylbenzoyl)-1,2-bis(propane-1-sulfonyl)indolizine

8013-2570 Screening compound: 7-tert-butyl-3-(4-methylbenzoyl)-1,2-bis(propane-1-sulfonyl)indolizine
8013-2570 Screening compound: 7-tert-butyl-3-(4-methylbenzoyl)-1,2-bis(propane-1-sulfonyl)indolizine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2570
7-tert-butyl-3-(4-methylbenzoyl)-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

8013-2570

Molecular Formula

C26H33NO5S2 (C26 H33 NO5 S2)

Compound Name

7-tert-butyl-3-(4-methylbenzoyl)-1,2-bis(propane-1-sulfonyl)indolizine

IUPAC name

7-tert-butyl-3-(4-methylbenzoyl)-12-bis(propane-1-sulfonyl)indolizine

SMILES

CCCS(c1c(cc(C(C)(C)C)cc2)n2c(C(c2ccc(C)cc2)=O)c1S(CCC)(=O)=O)(=O)=O

InChI

InChI=1S/C26H33NO5S2/c1-7-15-33(29,30)24-21-17-20(26(4,5)6)13-14-27(21)22(25(24)34(31,32)16-8-2)23(28)19-11-9-18(3)10-12-19/h9-14,17H,7-8,15-16H2,1-6H3

InChI Key

CINJDMNXNVOYHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.68

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

5.036

Distribution Coefficient, logD

5.036

Water Solubility, LogSw

-4.72

Polar Surface Area

70.236

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

8013-2570 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 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 8013-2570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2570?
Check Price and Availability of 8013-2570, 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 8013-2570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2570
  • 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 8013-2570 available by request