8020-1363 Screening compound: 2-bromo-3-cyano-5,6-dimethyl-4-pyridyl cyanide

8020-1363 Screening compound: 2-bromo-3-cyano-5,6-dimethyl-4-pyridyl cyanide
8020-1363 Screening compound: 2-bromo-3-cyano-5,6-dimethyl-4-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1363
2-bromo-3-cyano-5,6-dimethyl-4-pyridyl cyanide

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

8020-1363

Molecular Formula

C9H6BrN3 (C9 H6 BrN3)

Compound Name

2-bromo-3-cyano-5,6-dimethyl-4-pyridyl cyanide

IUPAC name

n/a

SMILES

Cc(c(C#N)c1C#N)c(C)nc1Br

InChI

InChI=1S/C9H6BrN3/c1-5-6(2)13-9(10)8(4-12)7(5)3-11/h1-2H3

InChI Key

TVDFWRNJJJDWCD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.07

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.155

Distribution Coefficient, logD

2.155

Water Solubility, LogSw

-1.84

Polar Surface Area

44.664

Acid Dissociation Constant (pKa)

25.11

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8020-1363 in Drug Discovery

Included in Screening Libraries

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-1363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1363?
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What is the minimum amount of 8020-1363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1363
  • 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 8020-1363 available by request