2188-0822 Screening compound: (2E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enethioamide

2188-0822 Screening compound: (2E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enethioamide
2188-0822 Screening compound: (2E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enethioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-0822
(2E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enethioamide

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

2188-0822

Molecular Formula

C14H16N2OS (C14 H16 N2 OS)

Compound Name

(2E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enethioamide

IUPAC name

(2E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enethioamide

SMILES

CCCCOc1ccc(/C=C(/C(N)=S)\C#N)cc1

InChI

InChI=1S/C14H16N2OS/c1-2-3-8-17-13-6-4-11(5-7-13)9-12(10-15)14(16)18/h4-7,9H,2-3,8H2,1H3,(H2,16,18)

InChI Key

RLZGDHAMHQNNAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.68

Polar Surface Area

44.165

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

2188-0822 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 2188-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-0822?
Check Price and Availability of 2188-0822, 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 2188-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-0822
  • 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 2188-0822 available by request