K978-0934 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(2,5-diethoxyphenyl)propanamide

K978-0934 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(2,5-diethoxyphenyl)propanamide
K978-0934 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(2,5-diethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0934
3-(4-bromobenzenesulfonyl)-N-(2,5-diethoxyphenyl)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

K978-0934

Molecular Formula

C19H22BrNO5S (C19 H22 BrNO5 S)

Compound Name

3-(4-bromobenzenesulfonyl)-N-(2,5-diethoxyphenyl)propanamide

IUPAC name

3-(4-bromobenzenesulfonyl)-N-(25-diethoxyphenyl)propanamide

SMILES

CCOc(cc1)cc(NC(CCS(c(cc2)ccc2Br)(=O)=O)=O)c1OCC

InChI

InChI=1S/C19H22BrNO5S/c1-3-25-15-7-10-18(26-4-2)17(13-15)21-19(22)11-12-27(23,24)16-8-5-14(20)6-9-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22)

InChI Key

VIXKEAZLBLWBFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.75

Polar Surface Area

65.789

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with K978-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0934?
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What is the minimum amount of K978-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0934
  • 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 K978-0934 available by request