8018-7742 Screening compound: (3Z)-2-amino-3-[(3-bromophenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile

8018-7742 Screening compound: (3Z)-2-amino-3-[(3-bromophenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile
8018-7742 Screening compound: (3Z)-2-amino-3-[(3-bromophenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7742
(3Z)-2-amino-3-[(3-bromophenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile

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

8018-7742

Molecular Formula

C13H7BrN4 (C13 H7 BrN4)

Compound Name

(3Z)-2-amino-3-[(3-bromophenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile

IUPAC name

(3Z)-2-amino-3-[(3-bromophenyl)methylidene]prop-1-ene-113-tricarbonitrile

SMILES

NC(/C(/C#N)=C/c1cccc(Br)c1)=C(C#N)C#N

InChI

InChI=1S/C13H7BrN4/c14-12-3-1-2-9(5-12)4-10(6-15)13(18)11(7-16)8-17/h1-5H,18H2

InChI Key

WPCDZYNVIQAGNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03928936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.13

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-2.46

Polar Surface Area

72.549

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8018-7742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7742?
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What is the minimum amount of 8018-7742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7742
  • 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 8018-7742 available by request