SC96-1132 Screening compound: 6-benzyl-N-(3-fluoro-4-methoxyphenyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide

SC96-1132 Screening compound: 6-benzyl-N-(3-fluoro-4-methoxyphenyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
SC96-1132 Screening compound: 6-benzyl-N-(3-fluoro-4-methoxyphenyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC96-1132
6-benzyl-N-(3-fluoro-4-methoxyphenyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-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

SC96-1132

Molecular Formula

C23H26FN3O4 (C23 H26 FN3 O4)

Compound Name

6-benzyl-N-(3-fluoro-4-methoxyphenyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide

IUPAC name

6-benzyl-N-(3-fluoro-4-methoxyphenyl)-7-oxo-2-oxa-610-diazaspiro[4.6]undecane-10-carboxamide

SMILES

COc(ccc(NC(N(CC1)CC2(COCC2)N(Cc2ccccc2)C1=O)=O)c1)c1F

InChI

InChI=1S/C23H26FN3O4/c1-30-20-8-7-18(13-19(20)24)25-22(29)26-11-9-21(28)27(14-17-5-3-2-4-6-17)23(15-26)10-12-31-16-23/h2-8,13H,9-12,14-16H2,1H3,(H,25,29)/t23-/m1/s1

InChI Key

IIHUQRNMTODUSQ-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.41

Polar Surface Area

58.300

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SC96-1132 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC96-1132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC96-1132?
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What is the minimum amount of SC96-1132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC96-1132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC96-1132
  • 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 SC96-1132 available by request