D116-0199 Screening compound: 1-(furan-2-carbonyl)-3-(pyridin-3-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine

D116-0199 Screening compound: 1-(furan-2-carbonyl)-3-(pyridin-3-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine
D116-0199 Screening compound: 1-(furan-2-carbonyl)-3-(pyridin-3-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0199
1-(furan-2-carbonyl)-3-(pyridin-3-yl)-N-[(thiophen-2-yl)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

D116-0199

Molecular Formula

C17H13N5O2S (C17 H13 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccco1)n1nc(-c2cnccc2)nc1NCc1cccs1

InChI

InChI=1S/C17H13N5O2S/c23-16(14-6-2-8-24-14)22-17(19-11-13-5-3-9-25-13)20-15(21-22)12-4-1-7-18-10-12/h1-10H,11H2,(H,19,20,21)

InChI Key

UIVODEQLCGBHPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06629044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

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

2.150

Distribution Coefficient, logD

2.001

Water Solubility, LogSw

-2.15

Polar Surface Area

68.342

Acid Dissociation Constant (pKa)

17.88

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D116-0199 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D116-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0199?
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What is the minimum amount of D116-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0199
  • 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 D116-0199 available by request