D527-1048 Screening compound: 3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]propanamide

D527-1048 Screening compound: 3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]propanamide
D527-1048 Screening compound: 3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D527-1048
3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl)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

D527-1048

Molecular Formula

C24H24ClN5O3 (C24 H24 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C)c1nc(-c(cc2)ccc2Cl)nn11)=C(CCC(NCc(cc2)ccc2OC)=O)C1=O

InChI

InChI=1S/C24H24ClN5O3/c1-15-20(12-13-21(31)26-14-16-4-10-19(33-3)11-5-16)23(32)30-24(29(15)2)27-22(28-30)17-6-8-18(25)9-7-17/h4-11H,12-14H2,1-3H3,(H,26,31)

InChI Key

ZJZNJDWQHLZRIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

3.617

Water Solubility, LogSw

-4.13

Polar Surface Area

70.263

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D527-1048 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D527-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D527-1048?
Check Price and Availability of D527-1048, 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 D527-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D527-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D527-1048
  • 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 D527-1048 available by request