D527-0058 Screening compound: 6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4,5-dimethyl-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D527-0058 Screening compound: 6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4,5-dimethyl-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D527-0058 Screening compound: 6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4,5-dimethyl-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D527-0058
6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4,5-dimethyl-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

D527-0058

Molecular Formula

C27H30N6O3 (C27 H30 N6 O3)

Compound Name

6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4,5-dimethyl-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-45-dimethyl-2-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC(N(C)c1nc(-c2ccccc2)nn11)=C(CCC(N(CC2)CCN2c(cccc2)c2OC)=O)C1=O

InChI

InChI=1S/C27H30N6O3/c1-19-21(26(35)33-27(30(19)2)28-25(29-33)20-9-5-4-6-10-20)13-14-24(34)32-17-15-31(16-18-32)22-11-7-8-12-23(22)36-3/h4-12H,13-18H2,1-3H3

InChI Key

OUWMPKMBZNYFLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.33

Polar Surface Area

65.231

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D527-0058 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D527-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D527-0058?
Check Price and Availability of D527-0058, 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 D527-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D527-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D527-0058
  • 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 D527-0058 available by request