D116-0229 Screening compound: 1-benzoyl-N-[(furan-2-yl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

D116-0229 Screening compound: 1-benzoyl-N-[(furan-2-yl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
D116-0229 Screening compound: 1-benzoyl-N-[(furan-2-yl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0229
1-benzoyl-N-[(furan-2-yl)methyl]-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

D116-0229

Molecular Formula

C19H15N5O2 (C19 H15 N5 O2)

Compound Name

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

IUPAC name

1-benzoyl-N-[(furan-2-yl)methyl]-3-(pyridin-3-yl)-1H-124-triazol-5-amine

SMILES

O=C(c1ccccc1)n1nc(-c2cnccc2)nc1NCc1ccco1

InChI

InChI=1S/C19H15N5O2/c25-18(14-6-2-1-3-7-14)24-19(21-13-16-9-5-11-26-16)22-17(23-24)15-8-4-10-20-12-15/h1-12H,13H2,(H,21,22,23)

InChI Key

KJDPNQQGUZZBKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06631811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-2.68

Polar Surface Area

66.494

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D116-0229 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D116-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0229?
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What is the minimum amount of D116-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0229
  • 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 D116-0229 available by request