6681-0084 Screening compound: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

6681-0084 Screening compound: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
6681-0084 Screening compound: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6681-0084
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)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

6681-0084

Molecular Formula

C20H17N3O5S (C20 H17 N3 O5 S)

Compound Name

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

IUPAC name

N-[4-(34-dimethoxyphenyl)-13-thiazol-2-yl]-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

COc(ccc(-c1csc(NC(CN(c(cccc2)c2O2)C2=O)=O)n1)c1)c1OC

InChI

InChI=1S/C20H17N3O5S/c1-26-16-8-7-12(9-17(16)27-2)13-11-29-19(21-13)22-18(24)10-23-14-5-3-4-6-15(14)28-20(23)25/h3-9,11H,10H2,1-2H3,(H,21,22,24)

InChI Key

BGDIKLLKRSCLHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05987687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-4.02

Polar Surface Area

71.252

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

6681-0084 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6681-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6681-0084?
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What is the minimum amount of 6681-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6681-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6681-0084
  • 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 6681-0084 available by request