K672-0369 Screening compound: 1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}pyrrolidine

K672-0369 Screening compound: 1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}pyrrolidine
K672-0369 Screening compound: 1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K672-0369
1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}pyrrolidine

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

K672-0369

Molecular Formula

C17H15ClN2O3S (C17 H15 ClN2 O3 S)

Compound Name

1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}pyrrolidine

IUPAC name

1-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}pyrrolidine

SMILES

[O-][N+](c(cc(cc1)C(N2CCCC2)=O)c1Sc1cccc(Cl)c1)=O

InChI

InChI=1S/C17H15ClN2O3S/c18-13-4-3-5-14(11-13)24-16-7-6-12(10-15(16)20(22)23)17(21)19-8-1-2-9-19/h3-7,10-11H,1-2,8-9H2

InChI Key

LZYQLCNZFMKMLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.507

Water Solubility, LogSw

-4.64

Polar Surface Area

50.062

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

K672-0369 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K672-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K672-0369?
Check Price and Availability of K672-0369, 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 K672-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K672-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K672-0369
  • 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 K672-0369 available by request