P006-0887 Screening compound: 3-(3-chlorophenyl)-6-methyl-N-(propan-2-yl)-1,2,4-triazin-5-amine

P006-0887 Screening compound: 3-(3-chlorophenyl)-6-methyl-N-(propan-2-yl)-1,2,4-triazin-5-amine
P006-0887 Screening compound: 3-(3-chlorophenyl)-6-methyl-N-(propan-2-yl)-1,2,4-triazin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P006-0887
3-(3-chlorophenyl)-6-methyl-N-(propan-2-yl)-1,2,4-triazin-5-amine

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

P006-0887

Molecular Formula

C13H15ClN4 (C13 H15 ClN4)

Compound Name

3-(3-chlorophenyl)-6-methyl-N-(propan-2-yl)-1,2,4-triazin-5-amine

IUPAC name

3-(3-chlorophenyl)-6-methyl-N-(propan-2-yl)-124-triazin-5-amine

SMILES

CC(C)Nc1nc(-c2cccc(Cl)c2)nnc1C

InChI

InChI=1S/C13H15ClN4/c1-8(2)15-12-9(3)17-18-13(16-12)10-5-4-6-11(14)7-10/h4-8H,1-3H3,(H,15,16,18)

InChI Key

XIUAXHYHWFQEMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.355

Distribution Coefficient, logD

3.355

Water Solubility, LogSw

-3.87

Polar Surface Area

42.362

Acid Dissociation Constant (pKa)

19.29

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

P006-0887 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P006-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P006-0887?
Check Price and Availability of P006-0887, 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 P006-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P006-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P006-0887
  • 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 P006-0887 available by request