D614-0172 Screening compound: N-[(4-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}furan-2-carboxamide

D614-0172 Screening compound: N-[(4-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}furan-2-carboxamide
D614-0172 Screening compound: N-[(4-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0172
N-[(4-cyanophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}furan-2-carboxamide

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

D614-0172

Molecular Formula

C20H16N6O3 (C20 H16 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC1=C(C)Nc2nc(N(Cc(cc3)ccc3C#N)C(c3ccco3)=O)nn2C1=O

InChI

InChI=1S/C20H16N6O3/c1-12-13(2)22-19-23-20(24-26(19)17(12)27)25(18(28)16-4-3-9-29-16)11-15-7-5-14(10-21)6-8-15/h3-9H,11H2,1-2H3,(H,22,23,24)

InChI Key

OHLIMBPSCCLUTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.406

Distribution Coefficient, logD

2.026

Water Solubility, LogSw

-2.79

Polar Surface Area

90.436

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D614-0172 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 D614-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0172?
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What is the minimum amount of D614-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0172
  • 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 D614-0172 available by request