M347-0319 Screening compound: 2-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl)-1-(piperidin-1-yl)ethan-1-one

M347-0319 Screening compound: 2-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl)-1-(piperidin-1-yl)ethan-1-one
M347-0319 Screening compound: 2-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl)-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M347-0319
2-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl)-1-(piperidin-1-yl)ethan-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

M347-0319

Molecular Formula

C22H30N4O5S2 (C22 H30 N4 O5 S2)

Compound Name

2-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl)-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-(4-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-(4-methyl-13-thiazol-2-yl)-1H-pyrrol-1-yl)-1-(piperidin-1-yl)ethan-1-one

SMILES

Cc1csc(-c2cc(S(N(CC3)CCC33OCCO3)(=O)=O)cn2CC(N2CCCCC2)=O)n1

InChI

InChI=1S/C22H30N4O5S2/c1-17-16-32-21(23-17)19-13-18(14-25(19)15-20(27)24-7-3-2-4-8-24)33(28,29)26-9-5-22(6-10-26)30-11-12-31-22/h13-14,16H,2-12,15H2,1H3

InChI Key

IKQDMHBBZUCYFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.847

Distribution Coefficient, logD

1.847

Water Solubility, LogSw

-2.35

Polar Surface Area

73.802

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

M347-0319 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 M347-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M347-0319?
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What is the minimum amount of M347-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M347-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M347-0319
  • 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 M347-0319 available by request