C523-0624 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide

C523-0624 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide
C523-0624 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C523-0624
N-[2-(3,4-diethoxyphenyl)ethyl]-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}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

C523-0624

Molecular Formula

C27H34N2O6S (C27 H34 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CCNC(CSCc1c(C)oc(-c(cc2)cc(OC)c2OC)n1)=O)c1)c1OCC

InChI

InChI=1S/C27H34N2O6S/c1-6-33-23-10-8-19(14-25(23)34-7-2)12-13-28-26(30)17-36-16-21-18(3)35-27(29-21)20-9-11-22(31-4)24(15-20)32-5/h8-11,14-15H,6-7,12-13,16-17H2,1-5H3,(H,28,30)

InChI Key

ZHBAACUHVJVUQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.73

Polar Surface Area

72.083

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C523-0624 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 C523-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C523-0624?
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What is the minimum amount of C523-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C523-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C523-0624
  • 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 C523-0624 available by request