D614-0222 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]furan-2-carboxamide

D614-0222 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]furan-2-carboxamide
D614-0222 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0222
N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]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

D614-0222

Molecular Formula

C25H20ClN5O3 (C25 H20 ClN5 O3)

Compound Name

N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]furan-2-carboxamide

IUPAC name

N-{6-benzyl-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]furan-2-carboxamide

SMILES

CC(Nc1nc(N(Cc2cccc(Cl)c2)C(c2ccco2)=O)nn11)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C25H20ClN5O3/c1-16-20(14-17-7-3-2-4-8-17)22(32)31-24(27-16)28-25(29-31)30(23(33)21-11-6-12-34-21)15-18-9-5-10-19(26)13-18/h2-13H,14-15H2,1H3,(H,27,28,29)

InChI Key

WLACYWWMPMBSIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.92

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

4.869

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.82

Polar Surface Area

73.108

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D614-0222 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D614-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0222?
Check Price and Availability of D614-0222, 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 D614-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0222
  • 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 D614-0222 available by request