8002-8692 Screening compound: 6-[(adamantan-1-yl)amino]-2,4,5-trichloropyridine-3-carbonitrile

8002-8692 Screening compound: 6-[(adamantan-1-yl)amino]-2,4,5-trichloropyridine-3-carbonitrile
8002-8692 Screening compound: 6-[(adamantan-1-yl)amino]-2,4,5-trichloropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-8692
6-[(adamantan-1-yl)amino]-2,4,5-trichloropyridine-3-carbonitrile

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

8002-8692

Molecular Formula

C16H16Cl3N3 (C16 H16 Cl3 N3)

Compound Name

6-[(adamantan-1-yl)amino]-2,4,5-trichloropyridine-3-carbonitrile

IUPAC name

6-[(adamantan-1-yl)amino]-245-trichloropyridine-3-carbonitrile

SMILES

N#Cc(c(Cl)nc(NC1(CC(C2)C3)CC3CC2C1)c1Cl)c1Cl

InChI

InChI=1S/C16H16Cl3N3/c17-12-11(7-20)14(19)21-15(13(12)18)22-16-4-8-1-9(5-16)3-10(2-8)6-16/h8-10H,1-6H2,(H,21,22)

InChI Key

LIIUNCOQNQQGFQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.68

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.340

Distribution Coefficient, logD

5.340

Water Solubility, LogSw

-6.94

Polar Surface Area

37.118

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8002-8692 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8002-8692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-8692?
Check Price and Availability of 8002-8692, 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 8002-8692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-8692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-8692
  • 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 8002-8692 available by request