8020-3468 Screening compound: 1-(1-amino-2,2-dicyanoeth-1-en-1-yl)-3-(3-bromophenyl)cyclopropane-1,2-dicarbonitrile

8020-3468 Screening compound: 1-(1-amino-2,2-dicyanoeth-1-en-1-yl)-3-(3-bromophenyl)cyclopropane-1,2-dicarbonitrile
8020-3468 Screening compound: 1-(1-amino-2,2-dicyanoeth-1-en-1-yl)-3-(3-bromophenyl)cyclopropane-1,2-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3468
1-(1-amino-2,2-dicyanoeth-1-en-1-yl)-3-(3-bromophenyl)cyclopropane-1,2-dicarbonitrile

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

8020-3468

Molecular Formula

C15H8BrN5 (C15 H8 BrN5)

Compound Name

1-(1-amino-2,2-dicyanoeth-1-en-1-yl)-3-(3-bromophenyl)cyclopropane-1,2-dicarbonitrile

IUPAC name

1-(1-amino-22-dicyanoeth-1-en-1-yl)-3-(3-bromophenyl)cyclopropane-12-dicarbonitrile

SMILES

NC(C(C1c2cccc(Br)c2)(C1C#N)C#N)=C(C#N)C#N

InChI

InChI=1S/C15H8BrN5/c16-11-3-1-2-9(4-11)13-12(7-19)15(13,8-20)14(21)10(5-17)6-18/h1-4,12-13H,21H2

InChI Key

YEJLFYACSRJDBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.17

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.274

Distribution Coefficient, logD

2.264

Water Solubility, LogSw

-2.21

Polar Surface Area

89.856

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8020-3468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3468?
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What is the minimum amount of 8020-3468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3468
  • 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 8020-3468 available by request