6287-0524 Screening compound: 2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

6287-0524 Screening compound: 2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
6287-0524 Screening compound: 2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6287-0524
2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)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

6287-0524

Molecular Formula

C23H29N3O3S (C23 H29 N3 O3 S)

Compound Name

2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

IUPAC name

2-[(5-ethoxy-1H-13-benzodiazol-2-yl)sulfanyl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

SMILES

CCc(cccc1C)c1N(COCC)C(CSc1nc(cc(cc2)OCC)c2[nH]1)=O

InChI

InChI=1S/C23H29N3O3S/c1-5-17-10-8-9-16(4)22(17)26(15-28-6-2)21(27)14-30-23-24-19-12-11-18(29-7-3)13-20(19)25-23/h8-13H,5-7,14-15H2,1-4H3,(H,24,25)

InChI Key

RMPUBUALMYUVOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.799

Water Solubility, LogSw

-4.58

Polar Surface Area

48.403

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

6287-0524 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6287-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6287-0524?
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What is the minimum amount of 6287-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6287-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6287-0524
  • 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 6287-0524 available by request