6882-0399 Screening compound: 4,6-DIMETHYL-N-[5-(PYRIDIN-3-YL)-1H-1,2,4-TRIAZOL-3-YL]PYRIMIDIN-2-AMINE

6882-0399 Screening compound: 4,6-DIMETHYL-N-[5-(PYRIDIN-3-YL)-1H-1,2,4-TRIAZOL-3-YL]PYRIMIDIN-2-AMINE
6882-0399 Screening compound: 4,6-DIMETHYL-N-[5-(PYRIDIN-3-YL)-1H-1,2,4-TRIAZOL-3-YL]PYRIMIDIN-2-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6882-0399
4,6-DIMETHYL-N-[5-(PYRIDIN-3-YL)-1H-1,2,4-TRIAZOL-3-YL]PYRIMIDIN-2-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

6882-0399

Molecular Formula

C13H13N7 (C13 H13 N7)

Compound Name

4,6-DIMETHYL-N-[5-(PYRIDIN-3-YL)-1H-1,2,4-TRIAZOL-3-YL]PYRIMIDIN-2-AMINE

IUPAC name

n/a

SMILES

Cc1nc(Nc2n[nH]c(-c3cnccc3)n2)nc(C)c1

InChI

InChI=1S/C13H13N7/c1-8-6-9(2)16-12(15-8)18-13-17-11(19-20-13)10-4-3-5-14-7-10/h3-7H,1-2H3,(H2,15,16,17,18,19,20)

InChI Key

UIXXAXXDYYUNAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04170083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.514

Distribution Coefficient, logD

0.870

Water Solubility, LogSw

-0.86

Polar Surface Area

72.906

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

6882-0399 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6882-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6882-0399?
Check Price and Availability of 6882-0399, 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 6882-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6882-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6882-0399
  • 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 6882-0399 available by request