D165-0294F Screening compound: 4-(pyridin-3-yl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine

D165-0294F Screening compound: 4-(pyridin-3-yl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
D165-0294F Screening compound: 4-(pyridin-3-yl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound D165-0294F
4-(pyridin-3-yl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine

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

D165-0294F

Molecular Formula

C18H11F3N4OS (C18 H11 F3 N4 OS)

Compound Name

4-(pyridin-3-yl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine

IUPAC name

4-(pyridin-3-yl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-135-benzotriazepine

SMILES

FC(Oc(cc1)cc2c1NC(c1cccs1)=NC(c1cnccc1)=N2)(F)F

InChI

InChI=1S/C18H11F3N4OS/c19-18(20,21)26-12-5-6-13-14(9-12)24-16(11-3-1-7-22-10-11)25-17(23-13)15-4-2-8-27-15/h1-10H,(H,23,24,25)

InChI Key

MLGPUCWPAXLDGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.36

Polar Surface Area

47.948

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

References: we are preparing a list of scientific research reports with D165-0294F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D165-0294F?
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What is the minimum amount of D165-0294F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D165-0294F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D165-0294F
  • 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 D165-0294F available by request