8010-5199 Screening compound: 3-(4-bromobenzoyl)-1,2-bis(propylsulfonyl)-8-indolizinecarboxamide

8010-5199 Screening compound: 3-(4-bromobenzoyl)-1,2-bis(propylsulfonyl)-8-indolizinecarboxamide
8010-5199 Screening compound: 3-(4-bromobenzoyl)-1,2-bis(propylsulfonyl)-8-indolizinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5199
3-(4-bromobenzoyl)-1,2-bis(propylsulfonyl)-8-indolizinecarboxamide

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

8010-5199

Molecular Formula

C22H23BrN2O6S2 (C22 H23 BrN2 O6 S2)

Compound Name

3-(4-bromobenzoyl)-1,2-bis(propylsulfonyl)-8-indolizinecarboxamide

IUPAC name

3-(4-bromobenzoyl)-12-bis(propane-1-sulfonyl)indolizine-8-carboxamide

SMILES

CCCS(c1c(C(c(cc2)ccc2Br)=O)n(cccc2C(N)=O)c2c1S(CCC)(=O)=O)(=O)=O

InChI

InChI=1S/C22H23BrN2O6S2/c1-3-12-32(28,29)20-17-16(22(24)27)6-5-11-25(17)18(21(20)33(30,31)13-4-2)19(26)14-7-9-15(23)10-8-14/h5-11H,3-4,12-13H2,1-2H3,(H2,24,27)

InChI Key

HJCCESGEXDUIHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02069418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.374

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-2.78

Polar Surface Area

104.071

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8010-5199 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-5199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5199?
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What is the minimum amount of 8010-5199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5199
  • 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 8010-5199 available by request