D614-0183 Screening compound: N-[(3-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

D614-0183 Screening compound: N-[(3-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide
D614-0183 Screening compound: N-[(3-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0183
N-[(3-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}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

D614-0183

Molecular Formula

C22H18N6O2 (C22 H18 N6 O2)

Compound Name

N-[(3-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

IUPAC name

N-[(3-cyanophenyl)methyl]-N-{56-dimethyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}benzamide

SMILES

CC1=C(C)Nc2nc(N(Cc3cc(C#N)ccc3)C(c3ccccc3)=O)nn2C1=O

InChI

InChI=1S/C22H18N6O2/c1-14-15(2)24-21-25-22(26-28(21)19(14)29)27(20(30)18-9-4-3-5-10-18)13-17-8-6-7-16(11-17)12-23/h3-11H,13H2,1-2H3,(H,24,25,26)

InChI Key

NBMBHEAHWPBHDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

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

2.944

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-3.36

Polar Surface Area

81.857

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D614-0183 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D614-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0183?
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What is the minimum amount of D614-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0183
  • 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 D614-0183 available by request