8017-1872 Screening compound: 4-amino-5-(4-methoxybenzoyl)-2-(methylamino)-3-thienyl cyanide

8017-1872 Screening compound: 4-amino-5-(4-methoxybenzoyl)-2-(methylamino)-3-thienyl cyanide
8017-1872 Screening compound: 4-amino-5-(4-methoxybenzoyl)-2-(methylamino)-3-thienyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1872
4-amino-5-(4-methoxybenzoyl)-2-(methylamino)-3-thienyl cyanide

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

8017-1872

Molecular Formula

C14H13N3O2S (C14 H13 N3 O2 S)

Compound Name

4-amino-5-(4-methoxybenzoyl)-2-(methylamino)-3-thienyl cyanide

IUPAC name

4-amino-5-(4-methoxybenzoyl)-2-(methylamino)thiophene-3-carbonitrile

SMILES

CNc(sc(C(c(cc1)ccc1OC)=O)c1N)c1C#N

InChI

InChI=1S/C14H13N3O2S/c1-17-14-10(7-15)11(16)13(20-14)12(18)8-3-5-9(19-2)6-4-8/h3-6,17H,16H2,1-2H3

InChI Key

HCHQIIAZLIVMDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.217

Distribution Coefficient, logD

2.217

Water Solubility, LogSw

-2.69

Polar Surface Area

68.143

Acid Dissociation Constant (pKa)

17.47

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8017-1872 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-1872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1872?
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What is the minimum amount of 8017-1872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1872
  • 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 8017-1872 available by request