8012-7514 Screening compound: 2,3,5-trichloro-6-(1,4-diazepan-1-yl)-4-pyridyl cyanide

8012-7514 Screening compound: 2,3,5-trichloro-6-(1,4-diazepan-1-yl)-4-pyridyl cyanide
8012-7514 Screening compound: 2,3,5-trichloro-6-(1,4-diazepan-1-yl)-4-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7514
2,3,5-trichloro-6-(1,4-diazepan-1-yl)-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

8012-7514

Molecular Formula

C11H11Cl3N4 (C11 H11 Cl3 N4)

Compound Name

2,3,5-trichloro-6-(1,4-diazepan-1-yl)-4-pyridyl cyanide

IUPAC name

235-trichloro-6-(14-diazepan-1-yl)pyridine-4-carbonitrile

SMILES

N#Cc(c(Cl)c(N1CCNCCC1)nc1Cl)c1Cl

InChI

InChI=1S/C11H11Cl3N4/c12-8-7(6-15)9(13)11(17-10(8)14)18-4-1-2-16-3-5-18/h16H,1-5H2

InChI Key

HOPCRPJOSCCCFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133958

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

305.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.514

Distribution Coefficient, logD

1.437

Water Solubility, LogSw

-3.94

Polar Surface Area

42.225

Acid Dissociation Constant (pKa)

23.99

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

8012-7514 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-7514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7514?
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What is the minimum amount of 8012-7514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7514
  • 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 8012-7514 available by request