2368-0979 Screening compound: (2Z)-2-(4-bromophenyl)-3-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enenitrile

2368-0979 Screening compound: (2Z)-2-(4-bromophenyl)-3-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enenitrile
2368-0979 Screening compound: (2Z)-2-(4-bromophenyl)-3-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0979
(2Z)-2-(4-bromophenyl)-3-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-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

2368-0979

Molecular Formula

C23H21BrN2 (C23 H21 BrN2)

Compound Name

(2Z)-2-(4-bromophenyl)-3-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enenitrile

IUPAC name

(2Z)-2-(4-bromophenyl)-3-[1-(35-dimethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]prop-2-enenitrile

SMILES

Cc1cc(/C=C(/c(cc2)ccc2Br)\C#N)c(C)n1-c1cc(C)cc(C)c1

InChI

InChI=1S/C23H21BrN2/c1-15-9-16(2)11-23(10-15)26-17(3)12-20(18(26)4)13-21(14-25)19-5-7-22(24)8-6-19/h5-13H,1-4H3

InChI Key

WZRLQHDOGWGITM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.34

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.503

Distribution Coefficient, logD

6.503

Water Solubility, LogSw

-5.93

Polar Surface Area

19.688

Acid Dissociation Constant (pKa)

28.92

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

2368-0979 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2368-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0979?
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What is the minimum amount of 2368-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0979
  • 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 2368-0979 available by request