SC66-0163 Screening compound: N~2~-(3-chloro-4-fluorophenyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

SC66-0163 Screening compound: N~2~-(3-chloro-4-fluorophenyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SC66-0163 Screening compound: N~2~-(3-chloro-4-fluorophenyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0163
N~2~-(3-chloro-4-fluorophenyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-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

SC66-0163

Molecular Formula

C18H21ClFN5O2 (C18 H21 ClFN5 O2)

Compound Name

N~2~-(3-chloro-4-fluorophenyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-4-(4-methyl-4H-124-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

SMILES

Cn1c(C(CN(C2)C(Nc(cc3)cc(Cl)c3F)=O)C22CCOCC2)nnc1

InChI

InChI=1S/C18H21ClFN5O2/c1-24-11-21-23-16(24)13-9-25(10-18(13)4-6-27-7-5-18)17(26)22-12-2-3-15(20)14(19)8-12/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,22,26)/t13-/m0/s1

InChI Key

PVOJJCAQZTULFR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32257959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.883

Distribution Coefficient, logD

1.883

Water Solubility, LogSw

-3.08

Polar Surface Area

58.682

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC66-0163 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 SC66-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0163?
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What is the minimum amount of SC66-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0163
  • 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 SC66-0163 available by request