L598-0933 Screening compound: 8-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

L598-0933 Screening compound: 8-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
L598-0933 Screening compound: 8-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound L598-0933
8-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

L598-0933

Molecular Formula

C18H22N2O5S2 (C18 H22 N2 O5 S2)

Compound Name

8-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[2-methoxy-5-(2-methyl-13-thiazol-4-yl)benzenesulfonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc1nc(-c(cc2)cc(S(N(CC3)CCC33OCCO3)(=O)=O)c2OC)cs1

InChI

InChI=1S/C18H22N2O5S2/c1-13-19-15(12-26-13)14-3-4-16(23-2)17(11-14)27(21,22)20-7-5-18(6-8-20)24-9-10-25-18/h3-4,11-12H,5-10H2,1-2H3

InChI Key

UESYXAHOHSMQRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-3.24

Polar Surface Area

63.557

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L598-0933 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L598-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L598-0933?
Check Price and Availability of L598-0933, 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 L598-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L598-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L598-0933
  • 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 L598-0933 available by request