D614-0042 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide

D614-0042 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide
D614-0042 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0042
N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide

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

D614-0042

Molecular Formula

C24H25N5O3 (C24 H25 N5 O3)

Compound Name

N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide

IUPAC name

N-{56-dimethyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide

SMILES

CCc1ccc(CN(C(c(cccc2)c2OC)=O)c(nc2NC(C)=C3C)nn2C3=O)cc1

InChI

InChI=1S/C24H25N5O3/c1-5-17-10-12-18(13-11-17)14-28(22(31)19-8-6-7-9-20(19)32-4)24-26-23-25-16(3)15(2)21(30)29(23)27-24/h6-13H,5,14H2,1-4H3,(H,25,26,27)

InChI Key

GKNJCVTUVNJDMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

3.954

Water Solubility, LogSw

-4.44

Polar Surface Area

72.432

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D614-0042 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D614-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0042?
Check Price and Availability of D614-0042, 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 D614-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0042
  • 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 D614-0042 available by request