C200-8365 Screening compound: 7-tert-butyl-4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C200-8365 Screening compound: 7-tert-butyl-4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
C200-8365 Screening compound: 7-tert-butyl-4-{[3-(4-chlorophenyl)-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 C200-8365
7-tert-butyl-4-{[3-(4-chlorophenyl)-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

C200-8365

Molecular Formula

C21H20ClN3O3 (C21 H20 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)cc(OC2)c1N(Cc1nc(-c(cc3)ccc3Cl)no1)C2=O

InChI

InChI=1S/C21H20ClN3O3/c1-21(2,3)14-6-9-16-17(10-14)27-12-19(26)25(16)11-18-23-20(24-28-18)13-4-7-15(22)8-5-13/h4-10H,11-12H2,1-3H3

InChI Key

FBMSNMHNISFQAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.355

Distribution Coefficient, logD

5.355

Water Solubility, LogSw

-5.92

Polar Surface Area

55.411

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C200-8365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8365?
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What is the minimum amount of C200-8365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8365
  • 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 C200-8365 available by request