D614-0156 Screening compound: N-[(4-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}hexanamide

D614-0156 Screening compound: N-[(4-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}hexanamide
D614-0156 Screening compound: N-[(4-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0156
N-[(4-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}hexanamide

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

D614-0156

Molecular Formula

C21H24N6O2 (C21 H24 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCC(N(Cc(cc1)ccc1C#N)c(nc1NC(C)=C2C)nn1C2=O)=O

InChI

InChI=1S/C21H24N6O2/c1-4-5-6-7-18(28)26(13-17-10-8-16(12-22)9-11-17)21-24-20-23-15(3)14(2)19(29)27(20)25-21/h8-11H,4-7,13H2,1-3H3,(H,23,24,25)

InChI Key

ARNQRSKWRYQDHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-3.80

Polar Surface Area

81.602

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with D614-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0156?
Check Price and Availability of D614-0156, 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 D614-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0156
  • 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 D614-0156 available by request