D331-0193 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(2-methylbenzoyl)-1H-1,2,4-triazol-5-amine

D331-0193 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(2-methylbenzoyl)-1H-1,2,4-triazol-5-amine
D331-0193 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(2-methylbenzoyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0193
N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(2-methylbenzoyl)-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

D331-0193

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(n1nc(-c2ccco2)nc1NCc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C23H22N4O4/c1-15-7-4-5-8-17(15)22(28)27-23(25-21(26-27)19-9-6-12-31-19)24-14-16-10-11-18(29-2)20(13-16)30-3/h4-13H,14H2,1-3H3,(H,24,25,26)

InChI Key

XYXFZRWCBYSMOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.73

Polar Surface Area

73.066

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D331-0193 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 D331-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0193?
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What is the minimum amount of D331-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0193
  • 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 D331-0193 available by request