T629-1522 Screening compound: 1-(5-bromofuran-2-carbonyl)-3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidine

T629-1522 Screening compound: 1-(5-bromofuran-2-carbonyl)-3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidine
T629-1522 Screening compound: 1-(5-bromofuran-2-carbonyl)-3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-1522
1-(5-bromofuran-2-carbonyl)-3-(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

T629-1522

Molecular Formula

C14H17BrN4O2 (C14 H17 BrN4 O2)

Compound Name

1-(5-bromofuran-2-carbonyl)-3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidine

IUPAC name

1-(5-bromofuran-2-carbonyl)-3-(5-ethyl-4H-124-triazol-3-yl)piperidine

SMILES

CCc1nnc(C(CCC2)CN2C(c(o2)ccc2Br)=O)[nH]1

InChI

InChI=1S/C14H17BrN4O2/c1-2-12-16-13(18-17-12)9-4-3-7-19(8-9)14(20)10-5-6-11(15)21-10/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,18)/t9-/m0/s1

InChI Key

MLRYGNRCPRLMCR-VIFPVBQESA-N

MDL Number (MFCD)

MFCD29027940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.890

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.34

Polar Surface Area

60.521

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T629-1522 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T629-1522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-1522?
Check Price and Availability of T629-1522, 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 T629-1522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-1522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-1522
  • 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 T629-1522 available by request