P006-1301 Screening compound: 3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1,2,4-triazin-5-amine

P006-1301 Screening compound: 3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1,2,4-triazin-5-amine
P006-1301 Screening compound: 3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1,2,4-triazin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P006-1301
3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-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

P006-1301

Molecular Formula

C19H19ClN4O2 (C19 H19 ClN4 O2)

Compound Name

3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1,2,4-triazin-5-amine

IUPAC name

3-(4-chlorophenyl)-N-[(34-dimethoxyphenyl)methyl]-6-methyl-124-triazin-5-amine

SMILES

Cc1nnc(-c(cc2)ccc2Cl)nc1NCc(cc1)cc(OC)c1OC

InChI

InChI=1S/C19H19ClN4O2/c1-12-18(21-11-13-4-9-16(25-2)17(10-13)26-3)22-19(24-23-12)14-5-7-15(20)8-6-14/h4-10H,11H2,1-3H3,(H,21,22,24)

InChI Key

HKHVAPHEODWLJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-4.00

Polar Surface Area

58.377

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P006-1301 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P006-1301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P006-1301?
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What is the minimum amount of P006-1301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P006-1301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P006-1301
  • 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 P006-1301 available by request