D584-4001 Screening compound: 2-{6-benzyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl}-N-butylacetamide

D584-4001 Screening compound: 2-{6-benzyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl}-N-butylacetamide
D584-4001 Screening compound: 2-{6-benzyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl}-N-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-4001
2-{6-benzyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl}-N-butylacetamide

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

D584-4001

Molecular Formula

C25H27N5O2 (C25 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(CN(c1nc(-c2ccccc2)nn11)C(C)=C(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C25H27N5O2/c1-3-4-15-26-22(31)17-29-18(2)21(16-19-11-7-5-8-12-19)24(32)30-25(29)27-23(28-30)20-13-9-6-10-14-20/h5-14H,3-4,15-17H2,1-2H3,(H,26,31)

InChI Key

VXVDXHRGOMQGRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.261

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.12

Polar Surface Area

62.796

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D584-4001 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D584-4001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-4001?
Check Price and Availability of D584-4001, 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 D584-4001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-4001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-4001
  • 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 D584-4001 available by request