T633-2369 Screening compound: (2,5-difluorophenyl)[3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino]methanone

T633-2369 Screening compound: (2,5-difluorophenyl)[3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
T633-2369 Screening compound: (2,5-difluorophenyl)[3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-2369
(2,5-difluorophenyl)[3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino]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

T633-2369

Molecular Formula

C17H20F2N4O (C17 H20 F2 N4 O)

Compound Name

(2,5-difluorophenyl)[3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino]methanone

IUPAC name

1-(25-difluorobenzoyl)-3-(4-propyl-4H-124-triazol-3-yl)piperidine

SMILES

CCCn1c(C(CCC2)CN2C(c(cc(cc2)F)c2F)=O)nnc1

InChI

InChI=1S/C17H20F2N4O/c1-2-7-23-11-20-21-16(23)12-4-3-8-22(10-12)17(24)14-9-13(18)5-6-15(14)19/h5-6,9,11-12H,2-4,7-8,10H2,1H3/t12-/m0/s1

InChI Key

QFOUGGUQSLAJAW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27622797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.274

Distribution Coefficient, logD

2.274

Water Solubility, LogSw

-2.74

Polar Surface Area

41.155

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

T633-2369 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T633-2369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-2369?
Check Price and Availability of T633-2369, 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 T633-2369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-2369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-2369
  • 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 T633-2369 available by request