2038-0310 Screening compound: (2E)-3-(3,5-dichloro-2-hydroxyphenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

2038-0310 Screening compound: (2E)-3-(3,5-dichloro-2-hydroxyphenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
2038-0310 Screening compound: (2E)-3-(3,5-dichloro-2-hydroxyphenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2038-0310
(2E)-3-(3,5-dichloro-2-hydroxyphenyl)-2-(6-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

2038-0310

Molecular Formula

C17H11Cl2N3O (C17 H11 Cl2 N3 O)

Compound Name

(2E)-3-(3,5-dichloro-2-hydroxyphenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(35-dichloro-2-hydroxyphenyl)-2-(6-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

Cc(cc1)cc2c1nc(/C(/C#N)=C/c1cc(Cl)cc(Cl)c1O)[nH]2

InChI

InChI=1S/C17H11Cl2N3O/c1-9-2-3-14-15(4-9)22-17(21-14)11(8-20)5-10-6-12(18)7-13(19)16(10)23/h2-7,23H,1H3,(H,21,22)

InChI Key

XKAJKCIEHMYZPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01160865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.173

Distribution Coefficient, logD

4.478

Water Solubility, LogSw

-5.21

Polar Surface Area

51.793

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 2038-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2038-0310?
Check Price and Availability of 2038-0310, 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 2038-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2038-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2038-0310
  • 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 2038-0310 available by request