D116-0210 Screening compound: 1-(4-tert-butylbenzoyl)-3-(pyridin-3-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine

D116-0210 Screening compound: 1-(4-tert-butylbenzoyl)-3-(pyridin-3-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine
D116-0210 Screening compound: 1-(4-tert-butylbenzoyl)-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 D116-0210
1-(4-tert-butylbenzoyl)-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

D116-0210

Molecular Formula

C23H23N5OS (C23 H23 N5 OS)

Compound Name

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

IUPAC name

1-(4-tert-butylbenzoyl)-3-(pyridin-3-yl)-N-[(thiophen-2-yl)methyl]-1H-124-triazol-5-amine

SMILES

CC(C)(C)c(cc1)ccc1C(n1nc(-c2cnccc2)nc1NCc1cccs1)=O

InChI

InChI=1S/C23H23N5OS/c1-23(2,3)18-10-8-16(9-11-18)21(29)28-22(25-15-19-7-5-13-30-19)26-20(27-28)17-6-4-12-24-14-17/h4-14H,15H2,1-3H3,(H,25,26,27)

InChI Key

ZUVBBMZZHHACFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.626

Water Solubility, LogSw

-4.29

Polar Surface Area

59.763

Acid Dissociation Constant (pKa)

17.90

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with D116-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0210?
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What is the minimum amount of D116-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0210
  • 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 D116-0210 available by request