8020-8742 Screening compound: N'~1~-(4-bromo-3-methylphenyl)-2,3,3-tricyano-2-propenimidamide

8020-8742 Screening compound: N'~1~-(4-bromo-3-methylphenyl)-2,3,3-tricyano-2-propenimidamide
8020-8742 Screening compound: N'~1~-(4-bromo-3-methylphenyl)-2,3,3-tricyano-2-propenimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8742
N'~1~-(4-bromo-3-methylphenyl)-2,3,3-tricyano-2-propenimidamide

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

8020-8742

Molecular Formula

C13H8BrN5 (C13 H8 BrN5)

Compound Name

N'~1~-(4-bromo-3-methylphenyl)-2,3,3-tricyano-2-propenimidamide

IUPAC name

(Z)-N'-(4-bromo-3-methylphenyl)-233-tricyanoprop-2-enimidamide

SMILES

Cc(cc(cc1)/N=C(/C(C#N)=C(C#N)C#N)\N)c1Br

InChI

InChI=1S/C13H8BrN5/c1-8-4-10(2-3-12(8)14)19-13(18)11(7-17)9(5-15)6-16/h2-4H,1H3,(H2,18,19)

InChI Key

HELMKYUBLGDOHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.14

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

2.375

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-2.27

Polar Surface Area

79.697

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

References: we are preparing a list of scientific research reports with 8020-8742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8742?
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What is the minimum amount of 8020-8742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8742
  • 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 8020-8742 available by request