E919-0468 Screening compound: 5-amino-N-[(4-chlorophenyl)methyl]-1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

E919-0468 Screening compound: 5-amino-N-[(4-chlorophenyl)methyl]-1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
E919-0468 Screening compound: 5-amino-N-[(4-chlorophenyl)methyl]-1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E919-0468
5-amino-N-[(4-chlorophenyl)methyl]-1-{[(3,4-dimethoxyphenyl)carbamoyl]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

E919-0468

Molecular Formula

C20H21ClN6O4 (C20 H21 ClN6 O4)

Compound Name

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

IUPAC name

5-amino-N-[(4-chlorophenyl)methyl]-1-{[(34-dimethoxyphenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

COc(ccc(NC(Cn1nnc(C(NCc(cc2)ccc2Cl)=O)c1N)=O)c1)c1OC

InChI

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

InChI Key

MQKZMTCQKVAJHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927890

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

1.410

Distribution Coefficient, logD

1.410

Water Solubility, LogSw

-2.67

Polar Surface Area

109.020

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E919-0468 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E919-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E919-0468?
Check Price and Availability of E919-0468, 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 E919-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E919-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E919-0468
  • 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 E919-0468 available by request