1947-0003 Screening compound: N-[4-(2,2,2-trifluoroacetamido)benzenesulfonyl]pentanamide

1947-0003 Screening compound: N-[4-(2,2,2-trifluoroacetamido)benzenesulfonyl]pentanamide
1947-0003 Screening compound: N-[4-(2,2,2-trifluoroacetamido)benzenesulfonyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1947-0003
N-[4-(2,2,2-trifluoroacetamido)benzenesulfonyl]pentanamide

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

1947-0003

Molecular Formula

C13H15F3N2O4S (C13 H15 F3 N2 O4 S)

Compound Name

N-[4-(2,2,2-trifluoroacetamido)benzenesulfonyl]pentanamide

IUPAC name

N-[4-(222-trifluoroacetamido)benzenesulfonyl]pentanamide

SMILES

CCCCC(NS(c(cc1)ccc1NC(C(F)(F)F)=O)(=O)=O)=O

InChI

InChI=1S/C13H15F3N2O4S/c1-2-3-4-11(19)18-23(21,22)10-7-5-9(6-8-10)17-12(20)13(14,15)16/h5-8H,2-4H2,1H3,(H,17,20)(H,18,19)

InChI Key

SGWVUTPHVHWJJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01162276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.942

Distribution Coefficient, logD

-0.783

Water Solubility, LogSw

-2.89

Polar Surface Area

78.488

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 1947-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1947-0003?
Check Price and Availability of 1947-0003, 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 1947-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1947-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1947-0003
  • 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 1947-0003 available by request