2237-1586 Screening compound: 4-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl propanoate

2237-1586 Screening compound: 4-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl propanoate
2237-1586 Screening compound: 4-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1586
4-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl propanoate

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

2237-1586

Molecular Formula

C20H17N3O3 (C20 H17 N3 O3)

Compound Name

4-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl propanoate

IUPAC name

4-[(1E)-2-(1H-13-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl propanoate

SMILES

CCC(Oc(ccc(/C=C(/c1nc(cccc2)c2[nH]1)\C#N)c1)c1OC)=O

InChI

InChI=1S/C20H17N3O3/c1-3-19(24)26-17-9-8-13(11-18(17)25-2)10-14(12-21)20-22-15-6-4-5-7-16(15)23-20/h4-11H,3H2,1-2H3,(H,22,23)

InChI Key

YXUHACZCRNYIKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-4.16

Polar Surface Area

64.086

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

2237-1586 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2237-1586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-1586?
Check Price and Availability of 2237-1586, 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 2237-1586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1586
  • 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 2237-1586 available by request