G719-1411 Screening compound: methyl 4-chloro-2-{[(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)carbamoyl]amino}benzoate

G719-1411 Screening compound: methyl 4-chloro-2-{[(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)carbamoyl]amino}benzoate
G719-1411 Screening compound: methyl 4-chloro-2-{[(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G719-1411
methyl 4-chloro-2-{[(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)carbamoyl]amino}benzoate

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

G719-1411

Molecular Formula

C20H19ClFN5O3 (C20 H19 ClFN5 O3)

Compound Name

methyl 4-chloro-2-{[(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)carbamoyl]amino}benzoate

IUPAC name

methyl 4-chloro-2-{[(2-{5-[(4-fluorophenyl)methyl]-1H-124-triazol-3-yl}ethyl)carbamoyl]amino}benzoate

SMILES

COC(c(ccc(Cl)c1)c1NC(NCCc1n[nH]c(Cc(cc2)ccc2F)n1)=O)=O

InChI

InChI=1S/C20H19ClFN5O3/c1-30-19(28)15-7-4-13(21)11-16(15)24-20(29)23-9-8-17-25-18(27-26-17)10-12-2-5-14(22)6-3-12/h2-7,11H,8-10H2,1H3,(H2,23,24,29)(H,25,26,27)

InChI Key

VYWSZEPADNVYQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.290

Water Solubility, LogSw

-3.96

Polar Surface Area

89.947

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G719-1411 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G719-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G719-1411?
Check Price and Availability of G719-1411, 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 G719-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G719-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G719-1411
  • 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 G719-1411 available by request