SC66-0034 Screening compound: (3,4-difluorophenyl)[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone

SC66-0034 Screening compound: (3,4-difluorophenyl)[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone
SC66-0034 Screening compound: (3,4-difluorophenyl)[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0034
(3,4-difluorophenyl)[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-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

SC66-0034

Molecular Formula

C18H20F2N4O2 (C18 H20 F2 N4 O2)

Compound Name

(3,4-difluorophenyl)[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone

IUPAC name

2-(34-difluorobenzoyl)-4-(4-methyl-4H-124-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane

SMILES

Cn1c(C(CN(C2)C(c(cc3)cc(F)c3F)=O)C22CCOCC2)nnc1

InChI

InChI=1S/C18H20F2N4O2/c1-23-11-21-22-16(23)13-9-24(10-18(13)4-6-26-7-5-18)17(25)12-2-3-14(19)15(20)8-12/h2-3,8,11,13H,4-7,9-10H2,1H3/t13-/m0/s1

InChI Key

BWZAWQCBQMQYJG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32258791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.048

Distribution Coefficient, logD

1.048

Water Solubility, LogSw

-2.03

Polar Surface Area

49.861

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC66-0034 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC66-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0034?
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What is the minimum amount of SC66-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0034
  • 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 SC66-0034 available by request