D345-0458 Screening compound: N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-2-ethylbutanamide

D345-0458 Screening compound: N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-2-ethylbutanamide
D345-0458 Screening compound: N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0458
N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-2-ethylbutanamide

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

D345-0458

Molecular Formula

C25H28N2O3S (C25 H28 N2 O3 S)

Compound Name

N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-2-ethylbutanamide

IUPAC name

N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-2-ethylbutanamide

SMILES

CCC(CC)C(Nc(cc1)ccc1S(N(Cc1ccccc1)c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C25H28N2O3S/c1-3-21(4-2)25(28)26-22-15-17-24(18-16-22)31(29,30)27(23-13-9-6-10-14-23)19-20-11-7-5-8-12-20/h5-18,21H,3-4,19H2,1-2H3,(H,26,28)

InChI Key

BRHUQMKHDGPNRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.189

Distribution Coefficient, logD

5.188

Water Solubility, LogSw

-5.02

Polar Surface Area

55.155

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D345-0458 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D345-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0458?
Check Price and Availability of D345-0458, 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 D345-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0458
  • 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 D345-0458 available by request