8020-4175 Screening compound: 2-{amino[2-cyano-3-(4-methylphenyl)oxiran-2-yl]methylidene}propanedinitrile

8020-4175 Screening compound: 2-{amino[2-cyano-3-(4-methylphenyl)oxiran-2-yl]methylidene}propanedinitrile
8020-4175 Screening compound: 2-{amino[2-cyano-3-(4-methylphenyl)oxiran-2-yl]methylidene}propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4175
2-{amino[2-cyano-3-(4-methylphenyl)oxiran-2-yl]methylidene}propanedinitrile

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

8020-4175

Molecular Formula

C14H10N4O (C14 H10 N4 O)

Compound Name

2-{amino[2-cyano-3-(4-methylphenyl)oxiran-2-yl]methylidene}propanedinitrile

IUPAC name

2-{amino[2-cyano-3-(4-methylphenyl)oxiran-2-yl]methylidene}propanedinitrile

SMILES

Cc1ccc(C2OC2(C(N)=C(C#N)C#N)C#N)cc1

InChI

InChI=1S/C14H10N4O/c1-9-2-4-10(5-3-9)13-14(8-17,19-13)12(18)11(6-15)7-16/h2-5,13H,18H2,1H3

InChI Key

HCMLPQSBBJAEGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.582

Distribution Coefficient, logD

1.575

Water Solubility, LogSw

-1.67

Polar Surface Area

80.493

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

8020-4175 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4175?
Check Price and Availability of 8020-4175, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-4175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4175
  • 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 8020-4175 available by request