M151-0879 Screening compound: 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-methoxyphenyl)-N,N-dimethyl-3H-thieno[2,3-d]imidazol-2-amine

M151-0879 Screening compound: 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-methoxyphenyl)-N,N-dimethyl-3H-thieno[2,3-d]imidazol-2-amine
M151-0879 Screening compound: 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-methoxyphenyl)-N,N-dimethyl-3H-thieno[2,3-d]imidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M151-0879
5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-methoxyphenyl)-N,N-dimethyl-3H-thieno[2,3-d]imidazol-2-amine

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

M151-0879

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-methoxyphenyl)-N,N-dimethyl-3H-thieno[2,3-d]imidazol-2-amine

IUPAC name

5-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-methoxyphenyl)-NN-dimethyl-3H-thieno[23-d]imidazol-2-amine

SMILES

CN(C)c(n1-c(cc2)ccc2OC)nc2c1sc(C(N(CC1)CCC11OCCO1)=O)c2

InChI

InChI=1S/C22H26N4O4S/c1-24(2)21-23-17-14-18(19(27)25-10-8-22(9-11-25)29-12-13-30-22)31-20(17)26(21)15-4-6-16(28-3)7-5-15/h4-7,14H,8-13H2,1-3H3

InChI Key

CBMMJKJQDWIWGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.088

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-3.37

Polar Surface Area

52.738

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

M151-0879 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M151-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M151-0879?
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What is the minimum amount of M151-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M151-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M151-0879
  • 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 M151-0879 available by request