T404-0843 Screening compound: 2-(4-fluorophenyl)-1-(4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepan-1-yl)ethan-1-one

T404-0843 Screening compound: 2-(4-fluorophenyl)-1-(4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepan-1-yl)ethan-1-one
T404-0843 Screening compound: 2-(4-fluorophenyl)-1-(4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepan-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-0843
2-(4-fluorophenyl)-1-(4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepan-1-yl)ethan-1-one

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

T404-0843

Molecular Formula

C19H20FN5O (C19 H20 FN5 O)

Compound Name

2-(4-fluorophenyl)-1-(4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepan-1-yl)ethan-1-one

IUPAC name

2-(4-fluorophenyl)-1-(4-{[124]triazolo[43-a]pyridin-3-yl}-14-diazepan-1-yl)ethan-1-one

SMILES

O=C(Cc(cc1)ccc1F)N(CCC1)CCN1c1nnc2n1cccc2

InChI

InChI=1S/C19H20FN5O/c20-16-7-5-15(6-8-16)14-18(26)23-9-3-10-24(13-12-23)19-22-21-17-4-1-2-11-25(17)19/h1-2,4-8,11H,3,9-10,12-14H2

InChI Key

ZPHWSBPUHWUBMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.002

Distribution Coefficient, logD

2.002

Water Solubility, LogSw

-1.89

Polar Surface Area

41.102

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with T404-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-0843?
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What is the minimum amount of T404-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-0843
  • 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 T404-0843 available by request