Y030-9858 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-4-pentanamidobenzamide

Y030-9858 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-4-pentanamidobenzamide
Y030-9858 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-4-pentanamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9858
N-[4-(azepane-1-sulfonyl)phenyl]-4-pentanamidobenzamide

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

Y030-9858

Molecular Formula

C24H31N3O4S (C24 H31 N3 O4 S)

Compound Name

N-[4-(azepane-1-sulfonyl)phenyl]-4-pentanamidobenzamide

IUPAC name

N-[4-(azepane-1-sulfonyl)phenyl]-4-pentanamidobenzamide

SMILES

CCCCC(Nc(cc1)ccc1C(Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C24H31N3O4S/c1-2-3-8-23(28)25-20-11-9-19(10-12-20)24(29)26-21-13-15-22(16-14-21)32(30,31)27-17-6-4-5-7-18-27/h9-16H,2-8,17-18H2,1H3,(H,25,28)(H,26,29)

InChI Key

DUVJYDOWPDCTFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04278515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.105

Water Solubility, LogSw

-3.97

Polar Surface Area

78.521

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

Y030-9858 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 Y030-9858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9858?
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What is the minimum amount of Y030-9858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9858
  • 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 Y030-9858 available by request