D527-0472 Screening compound: 3-{4-benzyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-cyclohexylpropanamide

D527-0472 Screening compound: 3-{4-benzyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-cyclohexylpropanamide
D527-0472 Screening compound: 3-{4-benzyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D527-0472
3-{4-benzyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-cyclohexylpropanamide

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

D527-0472

Molecular Formula

C28H31N5O2 (C28 H31 N5 O2)

Compound Name

3-{4-benzyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-cyclohexylpropanamide

IUPAC name

3-{4-benzyl-5-methyl-7-oxo-2-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-6-yl}-N-cyclohexylpropanamide

SMILES

CC(N(Cc1ccccc1)c1nc(-c2ccccc2)nn11)=C(CCC(NC2CCCCC2)=O)C1=O

InChI

InChI=1S/C28H31N5O2/c1-20-24(17-18-25(34)29-23-15-9-4-10-16-23)27(35)33-28(32(20)19-21-11-5-2-6-12-21)30-26(31-33)22-13-7-3-8-14-22/h2-3,5-8,11-14,23H,4,9-10,15-19H2,1H3,(H,29,34)

InChI Key

RKLIJRRBWIBOTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.119

Distribution Coefficient, logD

5.119

Water Solubility, LogSw

-4.92

Polar Surface Area

62.408

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with D527-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D527-0472?
Check Price and Availability of D527-0472, 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 D527-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D527-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D527-0472
  • 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 D527-0472 available by request