1636-0309 Screening compound: 2-[(E)-[(4-bromophenyl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile

1636-0309 Screening compound: 2-[(E)-[(4-bromophenyl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile
1636-0309 Screening compound: 2-[(E)-[(4-bromophenyl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1636-0309
2-[(E)-[(4-bromophenyl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile

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

1636-0309

Molecular Formula

C14H11BrN2S (C14 H11 BrN2 S)

Compound Name

2-[(E)-[(4-bromophenyl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile

IUPAC name

2-[(E)-[(4-bromophenyl)methylidene]amino]-45-dimethylthiophene-3-carbonitrile

SMILES

Cc1c(C)sc(/N=C/c(cc2)ccc2Br)c1C#N

InChI

InChI=1S/C14H11BrN2S/c1-9-10(2)18-14(13(9)7-16)17-8-11-3-5-12(15)6-4-11/h3-6,8H,1-2H3

InChI Key

SOKPOCAERLNMLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00828081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.51

Polar Surface Area

25.216

Acid Dissociation Constant (pKa)

29.29

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1636-0309 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1636-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1636-0309?
Check Price and Availability of 1636-0309, 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 1636-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1636-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1636-0309
  • 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 1636-0309 available by request