Y031-0816 Screening compound: N-[4-(cyclohexylsulfamoyl)phenyl]-4-acetamidobenzamide

Y031-0816 Screening compound: N-[4-(cyclohexylsulfamoyl)phenyl]-4-acetamidobenzamide
Y031-0816 Screening compound: N-[4-(cyclohexylsulfamoyl)phenyl]-4-acetamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0816
N-[4-(cyclohexylsulfamoyl)phenyl]-4-acetamidobenzamide

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

Y031-0816

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

N-[4-(cyclohexylsulfamoyl)phenyl]-4-acetamidobenzamide

IUPAC name

N-[4-(cyclohexylsulfamoyl)phenyl]-4-acetamidobenzamide

SMILES

CC(Nc(cc1)ccc1C(Nc(cc1)ccc1S(NC1CCCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C21H25N3O4S/c1-15(25)22-17-9-7-16(8-10-17)21(26)23-18-11-13-20(14-12-18)29(27,28)24-19-5-3-2-4-6-19/h7-14,19,24H,2-6H2,1H3,(H,22,25)(H,23,26)

InChI Key

YWUNMXCMZAYDGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06153101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.72

Polar Surface Area

88.289

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y031-0816 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with Y031-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0816?
Check Price and Availability of Y031-0816, 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 Y031-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0816
  • 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 Y031-0816 available by request