SC42-0063 Screening compound: (3-methoxy-2-methylphenyl){4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}methanone

SC42-0063 Screening compound: (3-methoxy-2-methylphenyl){4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}methanone
SC42-0063 Screening compound: (3-methoxy-2-methylphenyl){4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0063
(3-methoxy-2-methylphenyl){4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}methanone

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

SC42-0063

Molecular Formula

C22H29N3O4 (C22 H29 N3 O4)

Compound Name

(3-methoxy-2-methylphenyl){4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}methanone

IUPAC name

9-(3-methoxy-2-methylbenzoyl)-4-[(5-methyl-124-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane

SMILES

Cc1nc(CC2CC(CC3)(CCN3C(c3c(C)c(OC)ccc3)=O)OCC2)no1

InChI

InChI=1S/C22H29N3O4/c1-15-18(5-4-6-19(15)27-3)21(26)25-10-8-22(9-11-25)14-17(7-12-28-22)13-20-23-16(2)29-24-20/h4-6,17H,7-14H2,1-3H3/t17-/m0/s1

InChI Key

PKIBEJHDAMWXMV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32258369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.34

Polar Surface Area

63.015

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SC42-0063 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC42-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0063?
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What is the minimum amount of SC42-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0063
  • 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 SC42-0063 available by request