SA47-0135 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-{7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl}propan-1-one

SA47-0135 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-{7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl}propan-1-one
SA47-0135 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-{7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0135
3-(1,3-benzothiazol-2-yl)-1-{7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl}propan-1-one

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

SA47-0135

Molecular Formula

C17H20N2O3S (C17 H20 N2 O3 S)

Compound Name

3-(1,3-benzothiazol-2-yl)-1-{7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl}propan-1-one

IUPAC name

3-(13-benzothiazol-2-yl)-1-{7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl}propan-1-one

SMILES

CC1(COC(C2)(CN2C(CCc2nc(cccc3)c3s2)=O)C1)O

InChI

InChI=1S/C17H20N2O3S/c1-16(21)8-17(22-11-16)9-19(10-17)15(20)7-6-14-18-12-4-2-3-5-13(12)23-14/h2-5,21H,6-11H2,1H3/t16-/m0/s1

InChI Key

PXCDMFLAQFCRGU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32236968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-2.39

Polar Surface Area

49.670

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

SA47-0135 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with SA47-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0135?
Check Price and Availability of SA47-0135, 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 SA47-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0135
  • 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 SA47-0135 available by request