8017-3803 Screening compound: N-[2-(tert-butylcarbamoyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide

8017-3803 Screening compound: N-[2-(tert-butylcarbamoyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
8017-3803 Screening compound: N-[2-(tert-butylcarbamoyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3803
N-[2-(tert-butylcarbamoyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide

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

8017-3803

Molecular Formula

C20H19ClN2O2S (C20 H19 ClN2 O2 S)

Compound Name

N-[2-(tert-butylcarbamoyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide

IUPAC name

N-[2-(tert-butylcarbamoyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide

SMILES

CC(C)(C)NC(c(cccc1)c1NC(c(sc1c2cccc1)c2Cl)=O)=O

InChI

InChI=1S/C20H19ClN2O2S/c1-20(2,3)23-18(24)12-8-4-6-10-14(12)22-19(25)17-16(21)13-9-5-7-11-15(13)26-17/h4-11H,1-3H3,(H,22,25)(H,23,24)

InChI Key

CVLAOSZLEOUEEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05875110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.870

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.90

Polar Surface Area

46.887

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8017-3803 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-3803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3803?
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What is the minimum amount of 8017-3803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3803
  • 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 8017-3803 available by request