T629-1771 Screening compound: 1-[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]isoquinoline

T629-1771 Screening compound: 1-[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]isoquinoline
T629-1771 Screening compound: 1-[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-1771
1-[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]isoquinoline

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

T629-1771

Molecular Formula

C18H19N5O (C18 H19 N5 O)

Compound Name

1-[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]isoquinoline

IUPAC name

1-[3-(5-methyl-4H-124-triazol-3-yl)piperidine-1-carbonyl]isoquinoline

SMILES

Cc1nnc(C(CCC2)CN2C(c2nccc3ccccc23)=O)[nH]1

InChI

InChI=1S/C18H19N5O/c1-12-20-17(22-21-12)14-6-4-10-23(11-14)18(24)16-15-7-3-2-5-13(15)8-9-19-16/h2-3,5,7-9,14H,4,6,10-11H2,1H3,(H,20,21,22)/t14-/m0/s1

InChI Key

OARPNXYWLNGVQJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27622544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.409

Distribution Coefficient, logD

1.406

Water Solubility, LogSw

-2.23

Polar Surface Area

59.765

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with T629-1771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-1771?
Check Price and Availability of T629-1771, 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 T629-1771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-1771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-1771
  • 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 T629-1771 available by request