SC66-0183 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-1-butanone

SC66-0183 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-1-butanone
SC66-0183 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0183
4-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-1-butanone

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

SC66-0183

Molecular Formula

C22H27N5O2S (C22 H27 N5 O2 S)

Compound Name

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

IUPAC name

4-(13-benzothiazol-2-yl)-1-[4-(4-methyl-4H-124-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one

SMILES

Cn1c(C(CN(C2)C(CCCc3nc(cccc4)c4s3)=O)C22CCOCC2)nnc1

InChI

InChI=1S/C22H27N5O2S/c1-26-15-23-25-21(26)16-13-27(14-22(16)9-11-29-12-10-22)20(28)8-4-7-19-24-17-5-2-3-6-18(17)30-19/h2-3,5-6,15-16H,4,7-14H2,1H3/t16-/m0/s1

InChI Key

AVSSTCHDEFYIQA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32258079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.006

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-2.32

Polar Surface Area

59.549

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SC66-0183 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 SC66-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0183?
Check Price and Availability of SC66-0183, 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 SC66-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0183
  • 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 SC66-0183 available by request