D245-0472 Screening compound: 1-[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azepane

D245-0472 Screening compound: 1-[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azepane
D245-0472 Screening compound: 1-[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0472
1-[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azepane

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

D245-0472

Molecular Formula

C17H20N6 (C17 H20 N6)

Compound Name

1-[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azepane

IUPAC name

1-[5-methyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]azepane

SMILES

Cc1nc2nc(-c3cnccc3)nn2c(N2CCCCCC2)c1

InChI

InChI=1S/C17H20N6/c1-13-11-15(22-9-4-2-3-5-10-22)23-17(19-13)20-16(21-23)14-7-6-8-18-12-14/h6-8,11-12H,2-5,9-10H2,1H3

InChI Key

KJZDXLVJIPUVTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09870425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.823

Distribution Coefficient, logD

2.438

Water Solubility, LogSw

-2.64

Polar Surface Area

42.966

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

D245-0472 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 D245-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0472?
Check Price and Availability of D245-0472, 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 D245-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0472
  • 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 D245-0472 available by request