SC42-0122 Screening compound: N~9~-(2-chloro-4-methylphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SC42-0122 Screening compound: N~9~-(2-chloro-4-methylphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SC42-0122 Screening compound: N~9~-(2-chloro-4-methylphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0122
N~9~-(2-chloro-4-methylphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

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

SC42-0122

Molecular Formula

C21H27ClN4O3 (C21 H27 ClN4 O3)

Compound Name

N~9~-(2-chloro-4-methylphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

IUPAC name

N-(2-chloro-4-methylphenyl)-4-[(5-methyl-124-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SMILES

Cc1nc(CC2CC(CC3)(CCN3C(Nc(ccc(C)c3)c3Cl)=O)OCC2)no1

InChI

InChI=1S/C21H27ClN4O3/c1-14-3-4-18(17(22)11-14)24-20(27)26-8-6-21(7-9-26)13-16(5-10-28-21)12-19-23-15(2)29-25-19/h3-4,11,16H,5-10,12-13H2,1-2H3,(H,24,27)/t16-/m0/s1

InChI Key

SILNNOXGILKJEW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32258963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.30

Polar Surface Area

63.507

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SC42-0122 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 SC42-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0122?
Check Price and Availability of SC42-0122, 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 SC42-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0122
  • 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 SC42-0122 available by request