T404-0954 Screening compound: (3-FLUOROPHENYL)[4-(5-METHYL[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)-1,4-DIAZEPAN-1-YL]METHANONE

T404-0954 Screening compound: (3-FLUOROPHENYL)[4-(5-METHYL[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)-1,4-DIAZEPAN-1-YL]METHANONE
T404-0954 Screening compound: (3-FLUOROPHENYL)[4-(5-METHYL[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)-1,4-DIAZEPAN-1-YL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-0954
(3-FLUOROPHENYL)[4-(5-METHYL[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)-1,4-DIAZEPAN-1-YL]METHANONE

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

T404-0954

Molecular Formula

C19H20FN5O (C19 H20 FN5 O)

Compound Name

(3-FLUOROPHENYL)[4-(5-METHYL[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)-1,4-DIAZEPAN-1-YL]METHANONE

IUPAC name

n/a

SMILES

Cc(n12)cccc2nnc1N(CCC1)CCN1C(c1cccc(F)c1)=O

InChI

InChI=1S/C19H20FN5O/c1-14-5-2-8-17-21-22-19(25(14)17)24-10-4-9-23(11-12-24)18(26)15-6-3-7-16(20)13-15/h2-3,5-8,13H,4,9-12H2,1H3

InChI Key

GQJZUGIKABDWPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121302

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

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-2.37

Polar Surface Area

41.273

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with T404-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-0954?
Check Price and Availability of T404-0954, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T404-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-0954
  • 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 T404-0954 available by request