D614-0136 Screening compound: 4-chloro-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]benzamide

D614-0136 Screening compound: 4-chloro-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]benzamide
D614-0136 Screening compound: 4-chloro-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0136
4-chloro-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]benzamide

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

D614-0136

Molecular Formula

C23H22ClN5O3 (C23 H22 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CN(C(c(cc2)ccc2Cl)=O)c(nc2NC(C)=C3C)nn2C3=O)cc1

InChI

InChI=1S/C23H22ClN5O3/c1-4-32-19-11-5-16(6-12-19)13-28(21(31)17-7-9-18(24)10-8-17)23-26-22-25-15(3)14(2)20(30)29(22)27-23/h5-12H,4,13H2,1-3H3,(H,25,26,27)

InChI Key

FDJGRSZAXLUAOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.91

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

4.439

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-4.53

Polar Surface Area

71.925

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D614-0136 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 D614-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0136?
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What is the minimum amount of D614-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0136
  • 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 D614-0136 available by request