D584-0205 Screening compound: 4-benzyl-5-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D584-0205 Screening compound: 4-benzyl-5-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D584-0205 Screening compound: 4-benzyl-5-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-0205
4-benzyl-5-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-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

D584-0205

Molecular Formula

C27H29N5O2 (C27 H29 N5 O2)

Compound Name

4-benzyl-5-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

4-benzyl-5-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC(CC1)CCN1C(CC1=C(C)N(Cc2ccccc2)c2nc(-c3ccccc3)nn2C1=O)=O

InChI

InChI=1S/C27H29N5O2/c1-19-13-15-30(16-14-19)24(33)17-23-20(2)31(18-21-9-5-3-6-10-21)27-28-25(29-32(27)26(23)34)22-11-7-4-8-12-22/h3-12,19H,13-18H2,1-2H3

InChI Key

GSOVZVAAUITGIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.35

Polar Surface Area

54.603

Acid Dissociation Constant (pKa)

21.35

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D584-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-0205?
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What is the minimum amount of D584-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-0205
  • 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 D584-0205 available by request