D116-0211 Screening compound: 1-(2-methylbenzoyl)-3-(pyridin-3-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine

D116-0211 Screening compound: 1-(2-methylbenzoyl)-3-(pyridin-3-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine
D116-0211 Screening compound: 1-(2-methylbenzoyl)-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 D116-0211
1-(2-methylbenzoyl)-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

D116-0211

Molecular Formula

C20H17N5OS (C20 H17 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(n1nc(-c2cnccc2)nc1NCc1cccs1)=O

InChI

InChI=1S/C20H17N5OS/c1-14-6-2-3-9-17(14)19(26)25-20(22-13-16-8-5-11-27-16)23-18(24-25)15-7-4-10-21-12-15/h2-12H,13H2,1H3,(H,22,23,24)

InChI Key

BFYQIMFADKQINP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07393297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.231

Distribution Coefficient, logD

3.082

Water Solubility, LogSw

-3.33

Polar Surface Area

59.763

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with D116-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0211?
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What is the minimum amount of D116-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0211
  • 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 D116-0211 available by request