D515-0513 Screening compound: 5-methyl-2-(pyridin-3-yl)-N-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D515-0513 Screening compound: 5-methyl-2-(pyridin-3-yl)-N-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D515-0513 Screening compound: 5-methyl-2-(pyridin-3-yl)-N-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D515-0513
5-methyl-2-(pyridin-3-yl)-N-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

D515-0513

Molecular Formula

C27H23N7O (C27 H23 N7 O)

Compound Name

5-methyl-2-(pyridin-3-yl)-N-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

5-methyl-2-(pyridin-3-yl)-N-[4-(1234-tetrahydroisoquinoline-2-carbonyl)phenyl]-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

Cc1nc2nc(-c3cnccc3)nn2c(Nc(cc2)ccc2C(N(CC2)Cc3c2cccc3)=O)c1

InChI

InChI=1S/C27H23N7O/c1-18-15-24(34-27(29-18)31-25(32-34)21-7-4-13-28-16-21)30-23-10-8-20(9-11-23)26(35)33-14-12-19-5-2-3-6-22(19)17-33/h2-11,13,15-16,30H,12,14,17H2,1H3

InChI Key

LZLUOALBPHAHIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.48

Polar Surface Area

65.668

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

D515-0513 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 D515-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D515-0513?
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What is the minimum amount of D515-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D515-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D515-0513
  • 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 D515-0513 available by request