D584-0213 Screening compound: 6-[2-(azepan-1-yl)-2-oxoethyl]-4-benzyl-5-methyl-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D584-0213 Screening compound: 6-[2-(azepan-1-yl)-2-oxoethyl]-4-benzyl-5-methyl-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D584-0213 Screening compound: 6-[2-(azepan-1-yl)-2-oxoethyl]-4-benzyl-5-methyl-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-0213
6-[2-(azepan-1-yl)-2-oxoethyl]-4-benzyl-5-methyl-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

D584-0213

Molecular Formula

C27H29N5O2 (C27 H29 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(N(Cc1ccccc1)c1nc(-c2ccccc2)nn11)=C(CC(N2CCCCCC2)=O)C1=O

InChI

InChI=1S/C27H29N5O2/c1-20-23(18-24(33)30-16-10-2-3-11-17-30)26(34)32-27(31(20)19-21-12-6-4-7-13-21)28-25(29-32)22-14-8-5-9-15-22/h4-9,12-15H,2-3,10-11,16-19H2,1H3

InChI Key

VEESQVHATCUBBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594053

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

4.758

Distribution Coefficient, logD

4.758

Water Solubility, LogSw

-4.47

Polar Surface Area

54.934

Acid Dissociation Constant (pKa)

21.35

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D584-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-0213?
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What is the minimum amount of D584-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-0213
  • 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 D584-0213 available by request