E919-1833 Screening compound: 5-amino-1-{[(3-methoxyphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

E919-1833 Screening compound: 5-amino-1-{[(3-methoxyphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
E919-1833 Screening compound: 5-amino-1-{[(3-methoxyphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E919-1833
5-amino-1-{[(3-methoxyphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)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

E919-1833

Molecular Formula

C17H18N6O3S (C17 H18 N6 O3 S)

Compound Name

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

IUPAC name

5-amino-1-{[(3-methoxyphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-123-triazole-4-carboxamide

SMILES

COc1cccc(NC(Cn2nnc(C(NCc3cccs3)=O)c2N)=O)c1

InChI

InChI=1S/C17H18N6O3S/c1-26-12-5-2-4-11(8-12)20-14(24)10-23-16(18)15(21-22-23)17(25)19-9-13-6-3-7-27-13/h2-8H,9-10,18H2,1H3,(H,19,25)(H,20,24)

InChI Key

NDKBEFOFFYHKRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.321

Distribution Coefficient, logD

1.321

Water Solubility, LogSw

-2.46

Polar Surface Area

102.321

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E919-1833 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E919-1833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E919-1833?
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What is the minimum amount of E919-1833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E919-1833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E919-1833
  • 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 E919-1833 available by request