T629-2751 Screening compound: (3-methylphenyl){3-[5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methanone

T629-2751 Screening compound: (3-methylphenyl){3-[5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methanone
T629-2751 Screening compound: (3-methylphenyl){3-[5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-2751
(3-methylphenyl){3-[5-(3-pyridyl)-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

T629-2751

Molecular Formula

C20H21N5O (C20 H21 N5 O)

Compound Name

(3-methylphenyl){3-[5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methanone

IUPAC name

3-{5-[1-(3-methylbenzoyl)piperidin-3-yl]-4H-124-triazol-3-yl}pyridine

SMILES

Cc1cccc(C(N(CCC2)CC2c2nnc(-c3cnccc3)[nH]2)=O)c1

InChI

InChI=1S/C20H21N5O/c1-14-5-2-6-15(11-14)20(26)25-10-4-8-17(13-25)19-22-18(23-24-19)16-7-3-9-21-12-16/h2-3,5-7,9,11-12,17H,4,8,10,13H2,1H3,(H,22,23,24)/t17-/m0/s1

InChI Key

WPKQUYZKSJDTRH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27622572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

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

1.788

Distribution Coefficient, logD

1.692

Water Solubility, LogSw

-1.48

Polar Surface Area

59.851

Acid Dissociation Constant (pKa)

4.53

Base Dissociation Constant (pKb)

6.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

T629-2751 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 T629-2751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-2751?
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What is the minimum amount of T629-2751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-2751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-2751
  • 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 T629-2751 available by request