L116-3217 Screening compound: 1-{1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carbonyl}-4-phenylpiperazine

L116-3217 Screening compound: 1-{1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carbonyl}-4-phenylpiperazine
L116-3217 Screening compound: 1-{1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carbonyl}-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L116-3217
1-{1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carbonyl}-4-phenylpiperazine

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

L116-3217

Molecular Formula

C25H26N6O (C25 H26 N6 O)

Compound Name

1-{1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carbonyl}-4-phenylpiperazine

IUPAC name

1-{1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-123-triazole-4-carbonyl}-4-phenylpiperazine

SMILES

Cc1ccc(Cn2nnc(C(N(CC3)CCN3c3ccccc3)=O)c2-n2cccc2)cc1

InChI

InChI=1S/C25H26N6O/c1-20-9-11-21(12-10-20)19-31-24(29-13-5-6-14-29)23(26-27-31)25(32)30-17-15-28(16-18-30)22-7-3-2-4-8-22/h2-14H,15-19H2,1H3

InChI Key

FICPGKXAYHQFRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.979

Water Solubility, LogSw

-3.86

Polar Surface Area

49.645

Acid Dissociation Constant (pKa)

23.92

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with L116-3217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L116-3217?
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What is the minimum amount of L116-3217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L116-3217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L116-3217
  • 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 L116-3217 available by request