M355-0796 Screening compound: 6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one

M355-0796 Screening compound: 6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one
M355-0796 Screening compound: 6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M355-0796
6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-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

M355-0796

Molecular Formula

C21H21N3O5 (C21 H21 N3 O5)

Compound Name

6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-{5-[(34-dimethoxyphenyl)methyl]-124-oxadiazol-3-yl}-3-(propan-2-yl)-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C)N(c(ccc(-c1noc(Cc(cc2)cc(OC)c2OC)n1)c1)c1O1)C1=O

InChI

InChI=1S/C21H21N3O5/c1-12(2)24-15-7-6-14(11-17(15)28-21(24)25)20-22-19(29-23-20)10-13-5-8-16(26-3)18(9-13)27-4/h5-9,11-12H,10H2,1-4H3

InChI Key

QNKQZZMRRVLOSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.54

Polar Surface Area

69.391

Acid Dissociation Constant (pKa)

25.55

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M355-0796 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M355-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M355-0796?
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What is the minimum amount of M355-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M355-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M355-0796
  • 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 M355-0796 available by request