T629-1758 Screening compound: 3-(5-methyl-4H-1,2,4-triazol-3-yl)-1-(1-phenylcyclopropanecarbonyl)piperidine

T629-1758 Screening compound: 3-(5-methyl-4H-1,2,4-triazol-3-yl)-1-(1-phenylcyclopropanecarbonyl)piperidine
T629-1758 Screening compound: 3-(5-methyl-4H-1,2,4-triazol-3-yl)-1-(1-phenylcyclopropanecarbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-1758
3-(5-methyl-4H-1,2,4-triazol-3-yl)-1-(1-phenylcyclopropanecarbonyl)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

T629-1758

Molecular Formula

C18H22N4O (C18 H22 N4 O)

Compound Name

3-(5-methyl-4H-1,2,4-triazol-3-yl)-1-(1-phenylcyclopropanecarbonyl)piperidine

IUPAC name

3-(5-methyl-4H-124-triazol-3-yl)-1-(1-phenylcyclopropanecarbonyl)piperidine

SMILES

Cc1nnc(C(CCC2)CN2C(C2(CC2)c2ccccc2)=O)[nH]1

InChI

InChI=1S/C18H22N4O/c1-13-19-16(21-20-13)14-6-5-11-22(12-14)17(23)18(9-10-18)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,19,20,21)/t14-/m0/s1

InChI Key

LWAFVDSXBGPZHR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29027911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

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

1.600

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-1.88

Polar Surface Area

50.469

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T629-1758 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T629-1758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-1758?
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What is the minimum amount of T629-1758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-1758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-1758
  • 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 T629-1758 available by request