T630-1592 Screening compound: 1-(5-CHLORO-2-FLUOROBENZOYL)-4-(5-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINE

T630-1592 Screening compound: 1-(5-CHLORO-2-FLUOROBENZOYL)-4-(5-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINE
T630-1592 Screening compound: 1-(5-CHLORO-2-FLUOROBENZOYL)-4-(5-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-1592
1-(5-CHLORO-2-FLUOROBENZOYL)-4-(5-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINE

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

T630-1592

Molecular Formula

C16H18ClFN4O (C16 H18 ClFN4 O)

Compound Name

1-(5-CHLORO-2-FLUOROBENZOYL)-4-(5-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINE

IUPAC name

n/a

SMILES

CCc1nnc(C(CC2)CCN2C(c(cc(cc2)Cl)c2F)=O)[nH]1

InChI

InChI=1S/C16H18ClFN4O/c1-2-14-19-15(21-20-14)10-5-7-22(8-6-10)16(23)12-9-11(17)3-4-13(12)18/h3-4,9-10H,2,5-8H2,1H3,(H,19,20,21)

InChI Key

RSSYVQMUFVAPQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.8

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

2.513

Distribution Coefficient, logD

2.510

Water Solubility, LogSw

-3.50

Polar Surface Area

51.662

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

T630-1592 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T630-1592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-1592?
Check Price and Availability of T630-1592, 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 T630-1592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-1592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-1592
  • 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 T630-1592 available by request