8009-9939 Screening compound: methyl 8-amino-1,2-bis(propane-1-sulfonyl)indolizine-3-carboxylate

8009-9939 Screening compound: methyl 8-amino-1,2-bis(propane-1-sulfonyl)indolizine-3-carboxylate
8009-9939 Screening compound: methyl 8-amino-1,2-bis(propane-1-sulfonyl)indolizine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9939
methyl 8-amino-1,2-bis(propane-1-sulfonyl)indolizine-3-carboxylate

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

8009-9939

Molecular Formula

C16H22N2O6S2 (C16 H22 N2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCS(c1c(C(OC)=O)n(cccc2N)c2c1S(CCC)(=O)=O)(=O)=O

InChI

InChI=1S/C16H22N2O6S2/c1-4-9-25(20,21)14-12-11(17)7-6-8-18(12)13(16(19)24-3)15(14)26(22,23)10-5-2/h6-8H,4-5,9-10,17H2,1-3H3

InChI Key

YKACPPUWPOXJNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.691

Distribution Coefficient, logD

0.691

Water Solubility, LogSw

-1.92

Polar Surface Area

97.815

Acid Dissociation Constant (pKa)

19.41

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8009-9939 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-9939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9939?
Check Price and Availability of 8009-9939, 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 8009-9939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9939
  • 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 8009-9939 available by request