D527-1064 Screening compound: 3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide

D527-1064 Screening compound: 3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide
D527-1064 Screening compound: 3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D527-1064
3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide

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

D527-1064

Molecular Formula

C22H21ClN6O2 (C22 H21 ClN6 O2)

Compound Name

3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide

IUPAC name

3-[2-(4-chlorophenyl)-45-dimethyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide

SMILES

CC(N(C)c1nc(-c(cc2)ccc2Cl)nn11)=C(CCC(NCc2cnccc2)=O)C1=O

InChI

InChI=1S/C22H21ClN6O2/c1-14-18(9-10-19(30)25-13-15-4-3-11-24-12-15)21(31)29-22(28(14)2)26-20(27-29)16-5-7-17(23)8-6-16/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,30)

InChI Key

SALPODPFSSEQHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

2.404

Water Solubility, LogSw

-3.31

Polar Surface Area

72.238

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D527-1064 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D527-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D527-1064?
Check Price and Availability of D527-1064, 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 D527-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D527-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D527-1064
  • 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 D527-1064 available by request