D614-0347 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide

D614-0347 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
D614-0347 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0347
N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)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

D614-0347

Molecular Formula

C27H25N5O4 (C27 H25 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CN(C(c2ccco2)=O)c(nc2NC(C)=C3Cc4ccccc4)nn2C3=O)cc1

InChI

InChI=1S/C27H25N5O4/c1-3-35-21-13-11-20(12-14-21)17-31(25(34)23-10-7-15-36-23)27-29-26-28-18(2)22(24(33)32(26)30-27)16-19-8-5-4-6-9-19/h4-15H,3,16-17H2,1-2H3,(H,28,29,30)

InChI Key

RMAPDVGSXGWSEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.519

Water Solubility, LogSw

-4.30

Polar Surface Area

80.232

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

D614-0347 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 D614-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0347?
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What is the minimum amount of D614-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0347
  • 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 D614-0347 available by request