M355-0754 Screening compound: N-[4-({3-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-6-yl]-1,2,4-oxadiazol-5-yl}methyl)phenyl]acetamide

M355-0754 Screening compound: N-[4-({3-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-6-yl]-1,2,4-oxadiazol-5-yl}methyl)phenyl]acetamide
M355-0754 Screening compound: N-[4-({3-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-6-yl]-1,2,4-oxadiazol-5-yl}methyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M355-0754
N-[4-({3-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-6-yl]-1,2,4-oxadiazol-5-yl}methyl)phenyl]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

M355-0754

Molecular Formula

C21H20N4O4 (C21 H20 N4 O4)

Compound Name

N-[4-({3-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-6-yl]-1,2,4-oxadiazol-5-yl}methyl)phenyl]acetamide

IUPAC name

N-[4-({3-[2-oxo-3-(propan-2-yl)-23-dihydro-13-benzoxazol-6-yl]-124-oxadiazol-5-yl}methyl)phenyl]acetamide

SMILES

CC(C)N(c(ccc(-c1noc(Cc(cc2)ccc2NC(C)=O)n1)c1)c1O1)C1=O

InChI

InChI=1S/C21H20N4O4/c1-12(2)25-17-9-6-15(11-18(17)28-21(25)27)20-23-19(29-24-20)10-14-4-7-16(8-5-14)22-13(3)26/h4-9,11-12H,10H2,1-3H3,(H,22,26)

InChI Key

DDNJREJPLCCPEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-4.11

Polar Surface Area

77.393

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M355-0754 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M355-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M355-0754?
Check Price and Availability of M355-0754, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M355-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M355-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M355-0754
  • 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 M355-0754 available by request