E919-1616 Screening compound: 5-amino-1-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

E919-1616 Screening compound: 5-amino-1-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
E919-1616 Screening compound: 5-amino-1-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E919-1616
5-amino-1-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-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

E919-1616

Molecular Formula

C20H21ClN6O4 (C20 H21 ClN6 O4)

Compound Name

5-amino-1-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-1-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-123-triazole-4-carboxamide

SMILES

COc1cccc(CNC(c2c(N)n(CC(Nc(cc3)cc(Cl)c3OC)=O)nn2)=O)c1

InChI

InChI=1S/C20H21ClN6O4/c1-30-14-5-3-4-12(8-14)10-23-20(29)18-19(22)27(26-25-18)11-17(28)24-13-6-7-16(31-2)15(21)9-13/h3-9H,10-11,22H2,1-2H3,(H,23,29)(H,24,28)

InChI Key

BTXBNJWJLLHORS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.888

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.92

Polar Surface Area

108.933

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with E919-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E919-1616?
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What is the minimum amount of E919-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E919-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E919-1616
  • 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 E919-1616 available by request