D584-0035 Screening compound: 2-{4,5-dimethyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(4-methoxyphenyl)acetamide

D584-0035 Screening compound: 2-{4,5-dimethyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(4-methoxyphenyl)acetamide
D584-0035 Screening compound: 2-{4,5-dimethyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-0035
2-{4,5-dimethyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(4-methoxyphenyl)acetamide

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

D584-0035

Molecular Formula

C22H21N5O3 (C22 H21 N5 O3)

Compound Name

2-{4,5-dimethyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(4-methoxyphenyl)acetamide

IUPAC name

2-{45-dimethyl-7-oxo-2-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-6-yl}-N-(4-methoxyphenyl)acetamide

SMILES

CC(N(C)c1nc(-c2ccccc2)nn11)=C(CC(Nc(cc2)ccc2OC)=O)C1=O

InChI

InChI=1S/C22H21N5O3/c1-14-18(13-19(28)23-16-9-11-17(30-3)12-10-16)21(29)27-22(26(14)2)24-20(25-27)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,23,28)

InChI Key

RHBVHSBTHWHCMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.079

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-3.46

Polar Surface Area

68.941

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D584-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-0035?
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What is the minimum amount of D584-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-0035
  • 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 D584-0035 available by request