T629-0153 Screening compound: 3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidine

T629-0153 Screening compound: 3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidine
T629-0153 Screening compound: 3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-0153
3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]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

T629-0153

Molecular Formula

C16H23N5 (C16 H23 N5)

Compound Name

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

IUPAC name

3-(5-cyclopropyl-4H-124-triazol-3-yl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidine

SMILES

Cn1c(CN(CCC2)CC2c2nnc(C3CC3)[nH]2)ccc1

InChI

InChI=1S/C16H23N5/c1-20-8-3-5-14(20)11-21-9-2-4-13(10-21)16-17-15(18-19-16)12-6-7-12/h3,5,8,12-13H,2,4,6-7,9-11H2,1H3,(H,17,18,19)/t13-/m0/s1

InChI Key

ISEONGRAMOQRHU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29032777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.651

Distribution Coefficient, logD

0.791

Water Solubility, LogSw

-1.75

Polar Surface Area

40.839

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

T629-0153 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T629-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-0153?
Check Price and Availability of T629-0153, 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 T629-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-0153
  • 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 T629-0153 available by request