K978-0994 Screening compound: 3-(4-bromobenzenesulfonyl)-N-{3-[ethyl(phenyl)amino]propyl}propanamide

K978-0994 Screening compound: 3-(4-bromobenzenesulfonyl)-N-{3-[ethyl(phenyl)amino]propyl}propanamide
K978-0994 Screening compound: 3-(4-bromobenzenesulfonyl)-N-{3-[ethyl(phenyl)amino]propyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0994
3-(4-bromobenzenesulfonyl)-N-{3-[ethyl(phenyl)amino]propyl}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

K978-0994

Molecular Formula

C20H25BrN2O3S (C20 H25 BrN2 O3 S)

Compound Name

3-(4-bromobenzenesulfonyl)-N-{3-[ethyl(phenyl)amino]propyl}propanamide

IUPAC name

3-(4-bromobenzenesulfonyl)-N-{3-[ethyl(phenyl)amino]propyl}propanamide

SMILES

CCN(CCCNC(CCS(c(cc1)ccc1Br)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C20H25BrN2O3S/c1-2-23(18-7-4-3-5-8-18)15-6-14-22-20(24)13-16-27(25,26)19-11-9-17(21)10-12-19/h3-5,7-12H,2,6,13-16H2,1H3,(H,22,24)

InChI Key

VIPLTCAKGMNJMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.68

Polar Surface Area

56.306

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K978-0994 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K978-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0994?
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What is the minimum amount of K978-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0994
  • 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 K978-0994 available by request