K978-1349 Screening compound: N~1~-(4-chlorophenethyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide

K978-1349 Screening compound: N~1~-(4-chlorophenethyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide
K978-1349 Screening compound: N~1~-(4-chlorophenethyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-1349
N~1~-(4-chlorophenethyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide

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

K978-1349

Molecular Formula

C18H20ClNO4S (C18 H20 ClNO4 S)

Compound Name

N~1~-(4-chlorophenethyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide

IUPAC name

n/a

SMILES

COc(cc1)ccc1S(CCC(NCCc(cc1)ccc1Cl)=O)(=O)=O

InChI

InChI=1S/C18H20ClNO4S/c1-24-16-6-8-17(9-7-16)25(22,23)13-11-18(21)20-12-10-14-2-4-15(19)5-3-14/h2-9H,10-13H2,1H3,(H,20,21)

InChI Key

TZUGFCXNRQNRHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-3.14

Polar Surface Area

60.860

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

K978-1349 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K978-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-1349?
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What is the minimum amount of K978-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-1349
  • 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 K978-1349 available by request