L116-3372 Screening compound: 4-{1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carbonyl}thiomorpholine

L116-3372 Screening compound: 4-{1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carbonyl}thiomorpholine
L116-3372 Screening compound: 4-{1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carbonyl}thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound L116-3372
4-{1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carbonyl}thiomorpholine

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

L116-3372

Molecular Formula

C19H21N5O2S (C19 H21 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(Cn2nnc(C(N3CCSCC3)=O)c2-n2cccc2)cc1

InChI

InChI=1S/C19H21N5O2S/c1-26-16-6-4-15(5-7-16)14-24-18(22-8-2-3-9-22)17(20-21-24)19(25)23-10-12-27-13-11-23/h2-9H,10-14H2,1H3

InChI Key

HAXIWXNFQRBXOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.328

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-2.52

Polar Surface Area

53.929

Acid Dissociation Constant (pKa)

23.92

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with L116-3372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L116-3372?
Check Price and Availability of L116-3372, 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 L116-3372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L116-3372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L116-3372
  • 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 L116-3372 available by request