8015-1218 Screening compound: 1-benzyl-5-[(2-chloroacetyl)amino]-N~4~-methyl-1H-1,2,3-triazole-4-carboxamide

8015-1218 Screening compound: 1-benzyl-5-[(2-chloroacetyl)amino]-N~4~-methyl-1H-1,2,3-triazole-4-carboxamide
8015-1218 Screening compound: 1-benzyl-5-[(2-chloroacetyl)amino]-N~4~-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1218
1-benzyl-5-[(2-chloroacetyl)amino]-N~4~-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

8015-1218

Molecular Formula

C13H14ClN5O2 (C13 H14 ClN5 O2)

Compound Name

1-benzyl-5-[(2-chloroacetyl)amino]-N~4~-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-benzyl-5-(2-chloroacetamido)-N-methyl-1H-123-triazole-4-carboxamide

SMILES

CNC(c1c(NC(CCl)=O)n(Cc2ccccc2)nn1)=O

InChI

InChI=1S/C13H14ClN5O2/c1-15-13(21)11-12(16-10(20)7-14)19(18-17-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,15,21)(H,16,20)

InChI Key

YDFXIOCWUSHOJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.399

Distribution Coefficient, logD

0.201

Water Solubility, LogSw

-1.93

Polar Surface Area

74.602

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8015-1218 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8015-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1218?
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What is the minimum amount of 8015-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1218
  • 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 8015-1218 available by request