3615-0303 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)prop-2-enenitrile

3615-0303 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)prop-2-enenitrile
3615-0303 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0303
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)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

3615-0303

Molecular Formula

C18H13Br2N3O2 (C18 H13 Br2 N3 O2)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-(35-dibromo-24-dimethoxyphenyl)prop-2-enenitrile

SMILES

COc(c(Br)c1OC)c(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)cc1Br

InChI

InChI=1S/C18H13Br2N3O2/c1-24-16-10(8-12(19)17(25-2)15(16)20)7-11(9-21)18-22-13-5-3-4-6-14(13)23-18/h3-8H,1-2H3,(H,22,23)

InChI Key

LKVVBCQMZLRHIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.13

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-4.80

Polar Surface Area

51.748

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3615-0303 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3615-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0303?
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What is the minimum amount of 3615-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0303
  • 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 3615-0303 available by request