5139-0070F Screening compound: [7-(tert-butyl)-1,2-bis(ethylsulfonyl)-3-indolizinyl](4-methylphenyl)methanone

5139-0070F Screening compound: [7-(tert-butyl)-1,2-bis(ethylsulfonyl)-3-indolizinyl](4-methylphenyl)methanone
5139-0070F Screening compound: [7-(tert-butyl)-1,2-bis(ethylsulfonyl)-3-indolizinyl](4-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5139-0070F
[7-(tert-butyl)-1,2-bis(ethylsulfonyl)-3-indolizinyl](4-methylphenyl)methanone

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

5139-0070F

Molecular Formula

C24H29NO5S2 (C24 H29 NO5 S2)

Compound Name

[7-(tert-butyl)-1,2-bis(ethylsulfonyl)-3-indolizinyl](4-methylphenyl)methanone

IUPAC name

7-tert-butyl-12-bis(ethanesulfonyl)-3-(4-methylbenzoyl)indolizine

SMILES

CCS(c1c(cc(C(C)(C)C)cc2)n2c(C(c2ccc(C)cc2)=O)c1S(CC)(=O)=O)(=O)=O

InChI

InChI=1S/C24H29NO5S2/c1-7-31(27,28)22-19-15-18(24(4,5)6)13-14-25(19)20(23(22)32(29,30)8-2)21(26)17-11-9-16(3)10-12-17/h9-15H,7-8H2,1-6H3

InChI Key

GIRDOFYZKZDYQV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.15

Polar Surface Area

70.236

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 5139-0070F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5139-0070F?
Check Price and Availability of 5139-0070F, 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 5139-0070F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5139-0070F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5139-0070F
  • 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 5139-0070F available by request