L116-2108 Screening compound: 1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

L116-2108 Screening compound: 1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
L116-2108 Screening compound: 1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L116-2108
1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]-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

L116-2108

Molecular Formula

C21H15F4N5O (C21 H15 F4 N5 O)

Compound Name

1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

O=C(c(nnn1Cc2cccc(F)c2)c1-n1cccc1)Nc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C21H15F4N5O/c22-16-5-3-4-14(12-16)13-30-20(29-10-1-2-11-29)18(27-28-30)19(31)26-17-8-6-15(7-9-17)21(23,24)25/h1-12H,13H2,(H,26,31)

InChI Key

UIIZQTPZNDCGJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.90

Polar Surface Area

52.828

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L116-2108 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L116-2108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L116-2108?
Check Price and Availability of L116-2108, 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 L116-2108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L116-2108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L116-2108
  • 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 L116-2108 available by request