L116-4572 Screening compound: 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide

L116-4572 Screening compound: 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
L116-4572 Screening compound: 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L116-4572
1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide

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

L116-4572

Molecular Formula

C22H20ClN5O2 (C22 H20 ClN5 O2)

Compound Name

1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-123-triazole-4-carboxamide

SMILES

COc1cccc(CNC(c(nnn2Cc(cc3)ccc3Cl)c2-n2cccc2)=O)c1

InChI

InChI=1S/C22H20ClN5O2/c1-30-19-6-4-5-17(13-19)14-24-21(29)20-22(27-11-2-3-12-27)28(26-25-20)15-16-7-9-18(23)10-8-16/h2-13H,14-15H2,1H3,(H,24,29)

InChI Key

PBNDZGYBLVMUFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.57

Polar Surface Area

61.694

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with L116-4572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L116-4572?
Check Price and Availability of L116-4572, 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 L116-4572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L116-4572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L116-4572
  • 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 L116-4572 available by request