C200-8113 Screening compound: 7-tert-butyl-4-{[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C200-8113 Screening compound: 7-tert-butyl-4-{[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
C200-8113 Screening compound: 7-tert-butyl-4-{[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8113
7-tert-butyl-4-{[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

C200-8113

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

7-tert-butyl-4-{[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

7-tert-butyl-4-{[3-(4-ethoxyphenyl)-124-oxadiazol-5-yl]methyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCOc(cc1)ccc1-c1noc(CN2c(ccc(C(C)(C)C)c3)c3OCC2=O)n1

InChI

InChI=1S/C23H25N3O4/c1-5-28-17-9-6-15(7-10-17)22-24-20(30-25-22)13-26-18-11-8-16(23(2,3)4)12-19(18)29-14-21(26)27/h6-12H,5,13-14H2,1-4H3

InChI Key

ONSYEUDWIDCBNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.129

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.05

Polar Surface Area

62.535

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C200-8113 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C200-8113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8113?
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What is the minimum amount of C200-8113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8113
  • 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 C200-8113 available by request