K781-2404 Screening compound: 4-[(2-chlorophenyl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

K781-2404 Screening compound: 4-[(2-chlorophenyl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
K781-2404 Screening compound: 4-[(2-chlorophenyl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2404
4-[(2-chlorophenyl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

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

K781-2404

Molecular Formula

C20H20ClN3O4S (C20 H20 ClN3 O4 S)

Compound Name

4-[(2-chlorophenyl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

IUPAC name

4-[(2-chlorophenyl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

SMILES

[O-][N+](c(cc(cc1)C(NCCCN(CCC2)C2=O)=O)c1Sc(cccc1)c1Cl)=O

InChI

InChI=1S/C20H20ClN3O4S/c21-15-5-1-2-6-17(15)29-18-9-8-14(13-16(18)24(27)28)20(26)22-10-4-12-23-11-3-7-19(23)25/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,22,26)

InChI Key

COUYBEKYCISKQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.63

Polar Surface Area

74.815

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with K781-2404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2404?
Check Price and Availability of K781-2404, 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 K781-2404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2404
  • 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 K781-2404 available by request