4004-0207 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

4004-0207 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide
4004-0207 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4004-0207
N-(2H-1,3-benzodioxol-5-yl)-2-[(5,6-dimethyl-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

4004-0207

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[(56-dimethyl-1H-13-benzodiazol-2-yl)sulfanyl]acetamide

SMILES

Cc(c(C)c1)cc([nH]2)c1nc2SCC(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C18H17N3O3S/c1-10-5-13-14(6-11(10)2)21-18(20-13)25-8-17(22)19-12-3-4-15-16(7-12)24-9-23-15/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21)

InChI Key

ZPFAGHXHYMSACC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.885

Water Solubility, LogSw

-3.98

Polar Surface Area

58.245

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4004-0207 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4004-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4004-0207?
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What is the minimum amount of 4004-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4004-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4004-0207
  • 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 4004-0207 available by request