D331-0304 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine

D331-0304 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
D331-0304 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0304
1-(3,4-dimethoxybenzoyl)-3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine

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

D331-0304

Molecular Formula

C23H22N4O5 (C23 H22 N4 O5)

Compound Name

1-(3,4-dimethoxybenzoyl)-3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine

IUPAC name

1-(34-dimethoxybenzoyl)-3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-124-triazol-5-amine

SMILES

COc1c(CNc2nc(-c3ccco3)nn2C(c(cc2)cc(OC)c2OC)=O)cccc1

InChI

InChI=1S/C23H22N4O5/c1-29-17-8-5-4-7-16(17)14-24-23-25-21(19-9-6-12-32-19)26-27(23)22(28)15-10-11-18(30-2)20(13-15)31-3/h4-13H,14H2,1-3H3,(H,24,25,26)

InChI Key

YHNWUGBIQDGQPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

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

3.198

Distribution Coefficient, logD

3.198

Water Solubility, LogSw

-3.39

Polar Surface Area

80.697

Acid Dissociation Constant (pKa)

17.14

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D331-0304 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D331-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0304?
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What is the minimum amount of D331-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0304
  • 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 D331-0304 available by request