C700-1441 Screening compound: 2-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C700-1441 Screening compound: 2-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
C700-1441 Screening compound: 2-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1441
2-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]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

C700-1441

Molecular Formula

C23H25ClN2O6S (C23 H25 ClN2 O6 S)

Compound Name

2-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-{[2-(2-chlorophenyl)-5-methyl-13-oxazol-4-yl]methanesulfonyl}-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

Cc1c(CS(CC(NCCc(cc2)cc(OC)c2OC)=O)(=O)=O)nc(-c(cccc2)c2Cl)o1

InChI

InChI=1S/C23H25ClN2O6S/c1-15-19(26-23(32-15)17-6-4-5-7-18(17)24)13-33(28,29)14-22(27)25-11-10-16-8-9-20(30-2)21(12-16)31-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,25,27)

InChI Key

HISBUVVQTSEJKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.095

Distribution Coefficient, logD

2.095

Water Solubility, LogSw

-3.33

Polar Surface Area

85.963

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C700-1441 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C700-1441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1441?
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What is the minimum amount of C700-1441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1441
  • 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 C700-1441 available by request