T404-1178 Screening compound: 1-(PYRIDINE-4-CARBONYL)-4-[6-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]-1,4-DIAZEPANE

T404-1178 Screening compound: 1-(PYRIDINE-4-CARBONYL)-4-[6-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]-1,4-DIAZEPANE
T404-1178 Screening compound: 1-(PYRIDINE-4-CARBONYL)-4-[6-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]-1,4-DIAZEPANE alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-1178
1-(PYRIDINE-4-CARBONYL)-4-[6-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]-1,4-DIAZEPANE

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

T404-1178

Molecular Formula

C18H17F3N6O (C18 H17 F3 N6 O)

Compound Name

1-(PYRIDINE-4-CARBONYL)-4-[6-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]-1,4-DIAZEPANE

IUPAC name

n/a

SMILES

O=C(c1ccncc1)N(CCC1)CCN1c1nnc2n1cc(C(F)(F)F)cc2

InChI

InChI=1S/C18H17F3N6O/c19-18(20,21)14-2-3-15-23-24-17(27(15)12-14)26-9-1-8-25(10-11-26)16(28)13-4-6-22-7-5-13/h2-7,12H,1,8-11H2

InChI Key

DHYOZFRJLKTKMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.511

Distribution Coefficient, logD

1.509

Water Solubility, LogSw

-1.16

Polar Surface Area

50.950

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with T404-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-1178?
Check Price and Availability of T404-1178, 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 T404-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-1178
  • 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 T404-1178 available by request