T633-0168 Screening compound: 6-{[3-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}-1H-INDOLE

T633-0168 Screening compound: 6-{[3-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}-1H-INDOLE
T633-0168 Screening compound: 6-{[3-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}-1H-INDOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-0168
6-{[3-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}-1H-INDOLE

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

T633-0168

Molecular Formula

C17H21N5 (C17 H21 N5)

Compound Name

6-{[3-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}-1H-INDOLE

IUPAC name

n/a

SMILES

Cn1c(C2CN(Cc3cc([nH]cc4)c4cc3)CCC2)nnc1

InChI

InChI=1S/C17H21N5/c1-21-12-19-20-17(21)15-3-2-8-22(11-15)10-13-4-5-14-6-7-18-16(14)9-13/h4-7,9,12,15,18H,2-3,8,10-11H2,1H3/t15-/m0/s1

InChI Key

AEKKZJYKWWVKCO-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.652

Distribution Coefficient, logD

1.190

Water Solubility, LogSw

-2.17

Polar Surface Area

38.598

Acid Dissociation Constant (pKa)

17.95

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

T633-0168 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T633-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-0168?
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What is the minimum amount of T633-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-0168
  • 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 T633-0168 available by request