3627-0117 Screening compound: N-(2,3-dimethylphenyl)-2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

3627-0117 Screening compound: N-(2,3-dimethylphenyl)-2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide
3627-0117 Screening compound: N-(2,3-dimethylphenyl)-2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3627-0117
N-(2,3-dimethylphenyl)-2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

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

3627-0117

Molecular Formula

C18H19N3OS (C18 H19 N3 OS)

Compound Name

N-(2,3-dimethylphenyl)-2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(23-dimethylphenyl)-2-[(5-methyl-1H-13-benzodiazol-2-yl)sulfanyl]acetamide

SMILES

Cc(cc1)cc2c1[nH]c(SCC(Nc1c(C)c(C)ccc1)=O)n2

InChI

InChI=1S/C18H19N3OS/c1-11-7-8-15-16(9-11)21-18(20-15)23-10-17(22)19-14-6-4-5-12(2)13(14)3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)

InChI Key

XAVWJFLOVMIYNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01438210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.944

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-3.83

Polar Surface Area

40.431

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3627-0117 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3627-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3627-0117?
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What is the minimum amount of 3627-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3627-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3627-0117
  • 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 3627-0117 available by request