M355-0435 Screening compound: 3-ethyl-6-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1,3-benzoxazol-2-one

M355-0435 Screening compound: 3-ethyl-6-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1,3-benzoxazol-2-one
M355-0435 Screening compound: 3-ethyl-6-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M355-0435
3-ethyl-6-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-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

M355-0435

Molecular Formula

C18H17N5O3 (C18 H17 N5 O3)

Compound Name

3-ethyl-6-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-ethyl-6-[5-(4567-tetrahydro-1H-indazol-3-yl)-124-oxadiazol-3-yl]-23-dihydro-13-benzoxazol-2-one

SMILES

CCN(c(ccc(-c1noc(-c2n[nH]c3c2CCCC3)n1)c1)c1O1)C1=O

InChI

InChI=1S/C18H17N5O3/c1-2-23-13-8-7-10(9-14(13)25-18(23)24)16-19-17(26-22-16)15-11-5-3-4-6-12(11)20-21-15/h7-9H,2-6H2,1H3,(H,20,21)

InChI Key

CJGXIAQCABDPBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.436

Water Solubility, LogSw

-3.92

Polar Surface Area

79.422

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M355-0435 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M355-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M355-0435?
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What is the minimum amount of M355-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M355-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M355-0435
  • 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 M355-0435 available by request