D116-0308 Screening compound: N-[(4-methoxyphenyl)methyl]-1-(4-methylbenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

D116-0308 Screening compound: N-[(4-methoxyphenyl)methyl]-1-(4-methylbenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
D116-0308 Screening compound: N-[(4-methoxyphenyl)methyl]-1-(4-methylbenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0308
N-[(4-methoxyphenyl)methyl]-1-(4-methylbenzoyl)-3-(pyridin-3-yl)-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

D116-0308

Molecular Formula

C23H21N5O2 (C23 H21 N5 O2)

Compound Name

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

IUPAC name

N-[(4-methoxyphenyl)methyl]-1-(4-methylbenzoyl)-3-(pyridin-3-yl)-1H-124-triazol-5-amine

SMILES

Cc(cc1)ccc1C(n1nc(-c2cnccc2)nc1NCc(cc1)ccc1OC)=O

InChI

InChI=1S/C23H21N5O2/c1-16-5-9-18(10-6-16)22(29)28-23(25-14-17-7-11-20(30-2)12-8-17)26-21(27-28)19-4-3-13-24-15-19/h3-13,15H,14H2,1-2H3,(H,25,26,27)

InChI Key

CJLRZWXMRHSHJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07640677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.29

Polar Surface Area

66.289

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D116-0308 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D116-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0308?
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What is the minimum amount of D116-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0308
  • 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 D116-0308 available by request