C796-1329 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-{4-[(4-ethylbenzenesulfonyl)methyl]-5-methyl-1,3-oxazol-2-yl}benzamide

C796-1329 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-{4-[(4-ethylbenzenesulfonyl)methyl]-5-methyl-1,3-oxazol-2-yl}benzamide
C796-1329 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-{4-[(4-ethylbenzenesulfonyl)methyl]-5-methyl-1,3-oxazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-1329
N-[2-(azepan-1-yl)ethyl]-4-{4-[(4-ethylbenzenesulfonyl)methyl]-5-methyl-1,3-oxazol-2-yl}benzamide

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

C796-1329

Molecular Formula

C28H35N3O4S (C28 H35 N3 O4 S)

Compound Name

N-[2-(azepan-1-yl)ethyl]-4-{4-[(4-ethylbenzenesulfonyl)methyl]-5-methyl-1,3-oxazol-2-yl}benzamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-4-{4-[(4-ethylbenzenesulfonyl)methyl]-5-methyl-13-oxazol-2-yl}benzamide

SMILES

CCc(cc1)ccc1S(Cc1c(C)oc(-c(cc2)ccc2C(NCCN2CCCCCC2)=O)n1)(=O)=O

InChI

InChI=1S/C28H35N3O4S/c1-3-22-8-14-25(15-9-22)36(33,34)20-26-21(2)35-28(30-26)24-12-10-23(11-13-24)27(32)29-16-19-31-17-6-4-5-7-18-31/h8-15H,3-7,16-20H2,1-2H3,(H,29,32)

InChI Key

JGBNEJGINQSJLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.91

Polar Surface Area

75.694

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C796-1329 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C796-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-1329?
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What is the minimum amount of C796-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-1329
  • 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 C796-1329 available by request