SC43-0167 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-hydroxyethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl]-1-butanone

SC43-0167 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-hydroxyethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl]-1-butanone
SC43-0167 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-hydroxyethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl]-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC43-0167
4-(1,3-benzothiazol-2-yl)-1-[4-(2-hydroxyethoxy)-1-oxa-9-azaspiro[5.5]undec-9-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

SC43-0167

Molecular Formula

C22H30N2O4S (C22 H30 N2 O4 S)

Compound Name

4-(1,3-benzothiazol-2-yl)-1-[4-(2-hydroxyethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl]-1-butanone

IUPAC name

4-(13-benzothiazol-2-yl)-1-[4-(2-hydroxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one

SMILES

OCCOC1CC(CC2)(CCN2C(CCCc2nc(cccc3)c3s2)=O)OCC1

InChI

InChI=1S/C22H30N2O4S/c25-13-15-27-17-8-14-28-22(16-17)9-11-24(12-10-22)21(26)7-3-6-20-23-18-4-1-2-5-19(18)29-20/h1-2,4-5,17,25H,3,6-16H2/t17-/m1/s1

InChI Key

VRBJIPCZGZKFOI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32258742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.926

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.14

Polar Surface Area

56.764

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

SC43-0167 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 SC43-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC43-0167?
Check Price and Availability of SC43-0167, 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 SC43-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC43-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC43-0167
  • 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 SC43-0167 available by request