8010-1364 Screening compound: (2E)-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

8010-1364 Screening compound: (2E)-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
8010-1364 Screening compound: (2E)-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1364
(2E)-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

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

8010-1364

Molecular Formula

C21H21N3O2 (C21 H21 N3 O2)

Compound Name

(2E)-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-(5-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

CC(C)Oc(ccc(/C=C(/c1nc(cc(C)cc2)c2[nH]1)\C#N)c1)c1OC

InChI

InChI=1S/C21H21N3O2/c1-13(2)26-19-8-6-15(11-20(19)25-4)10-16(12-22)21-23-17-7-5-14(3)9-18(17)24-21/h5-11,13H,1-4H3,(H,23,24)

InChI Key

GNJHFYUHUFEDSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01053895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.46

Polar Surface Area

50.834

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8010-1364 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 8010-1364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1364?
Check Price and Availability of 8010-1364, 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 8010-1364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1364
  • 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 8010-1364 available by request