2237-1879 Screening compound: propan-2-yl 4-{5-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoate

2237-1879 Screening compound: propan-2-yl 4-{5-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoate
2237-1879 Screening compound: propan-2-yl 4-{5-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1879
propan-2-yl 4-{5-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoate

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

2237-1879

Molecular Formula

C24H19N3O3 (C24 H19 N3 O3)

Compound Name

propan-2-yl 4-{5-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoate

IUPAC name

propan-2-yl 4-{5-[(1E)-2-(1H-13-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoate

SMILES

CC(C)OC(c(cc1)ccc1-c1ccc(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)o1)=O

InChI

InChI=1S/C24H19N3O3/c1-15(2)29-24(28)17-9-7-16(8-10-17)22-12-11-19(30-22)13-18(14-25)23-26-20-5-3-4-6-21(20)27-23/h3-13,15H,1-2H3,(H,26,27)

InChI Key

OOQSQUPUBWADDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

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

5.537

Distribution Coefficient, logD

5.537

Water Solubility, LogSw

-5.61

Polar Surface Area

64.317

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 2237-1879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-1879?
Check Price and Availability of 2237-1879, 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 2237-1879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1879
  • 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 2237-1879 available by request