8013-2607 Screening compound: methyl 3-acetyl-2-benzenesulfonamido-4-oxo-2-(trifluoromethyl)pentanoate

8013-2607 Screening compound: methyl 3-acetyl-2-benzenesulfonamido-4-oxo-2-(trifluoromethyl)pentanoate
8013-2607 Screening compound: methyl 3-acetyl-2-benzenesulfonamido-4-oxo-2-(trifluoromethyl)pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2607
methyl 3-acetyl-2-benzenesulfonamido-4-oxo-2-(trifluoromethyl)pentanoate

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

8013-2607

Molecular Formula

C15H16F3NO6S (C15 H16 F3 NO6 S)

Compound Name

methyl 3-acetyl-2-benzenesulfonamido-4-oxo-2-(trifluoromethyl)pentanoate

IUPAC name

methyl 3-acetyl-2-benzenesulfonamido-4-oxo-2-(trifluoromethyl)pentanoate

SMILES

CC(C(C(C(F)(F)F)(C(OC)=O)NS(c1ccccc1)(=O)=O)C(C)=O)=O

InChI

InChI=1S/C15H16F3NO6S/c1-9(20)12(10(2)21)14(13(22)25-3,15(16,17)18)19-26(23,24)11-7-5-4-6-8-11/h4-8,12,19H,1-3H3/t14-/m1/s1

InChI Key

LPWOAHDAPGPQMG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03764033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.36

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.782

Distribution Coefficient, logD

0.023

Water Solubility, LogSw

-2.59

Polar Surface Area

90.700

Acid Dissociation Constant (pKa)

5.65

Base Dissociation Constant (pKb)

-12.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8013-2607 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-2607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2607?
Check Price and Availability of 8013-2607, 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 8013-2607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2607
  • 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 8013-2607 available by request