8020-3467 Screening compound: 1-(1-amino-2,2-dicyanoeth-1-en-1-yl)-3-(2-chlorophenyl)cyclopropane-1,2-dicarbonitrile

8020-3467 Screening compound: 1-(1-amino-2,2-dicyanoeth-1-en-1-yl)-3-(2-chlorophenyl)cyclopropane-1,2-dicarbonitrile
8020-3467 Screening compound: 1-(1-amino-2,2-dicyanoeth-1-en-1-yl)-3-(2-chlorophenyl)cyclopropane-1,2-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3467
1-(1-amino-2,2-dicyanoeth-1-en-1-yl)-3-(2-chlorophenyl)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

8020-3467

Molecular Formula

C15H8ClN5 (C15 H8 ClN5)

Compound Name

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

IUPAC name

1-(1-amino-22-dicyanoeth-1-en-1-yl)-3-(2-chlorophenyl)cyclopropane-12-dicarbonitrile

SMILES

NC(C(C1c(cccc2)c2Cl)(C1C#N)C#N)=C(C#N)C#N

InChI

InChI=1S/C15H8ClN5/c16-12-4-2-1-3-10(12)13-11(7-19)15(13,8-20)14(21)9(5-17)6-18/h1-4,11,13H,21H2

InChI Key

SBBXHGXDYWUQFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.71

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

2.005

Distribution Coefficient, logD

1.995

Water Solubility, LogSw

-2.28

Polar Surface Area

89.856

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8020-3467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3467?
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What is the minimum amount of 8020-3467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3467
  • 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 8020-3467 available by request