M372-0674 Screening compound: methyl 3-{2-methyl-6-[(morpholin-4-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-amido}benzoate

M372-0674 Screening compound: methyl 3-{2-methyl-6-[(morpholin-4-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-amido}benzoate
M372-0674 Screening compound: methyl 3-{2-methyl-6-[(morpholin-4-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M372-0674
methyl 3-{2-methyl-6-[(morpholin-4-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-amido}benzoate

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

M372-0674

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

methyl 3-{2-methyl-6-[(morpholin-4-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-amido}benzoate

IUPAC name

methyl 3-{2-methyl-6-[(morpholin-4-yl)methyl]-4H-thieno[32-b]pyrrole-5-amido}benzoate

SMILES

Cc1cc([nH]c(C(Nc2cc(C(OC)=O)ccc2)=O)c2CN3CCOCC3)c2s1

InChI

InChI=1S/C21H23N3O4S/c1-13-10-17-19(29-13)16(12-24-6-8-28-9-7-24)18(23-17)20(25)22-15-5-3-4-14(11-15)21(26)27-2/h3-5,10-11,23H,6-9,12H2,1-2H3,(H,22,25)

InChI Key

GRFGAISUDSTTGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.564

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-3.79

Polar Surface Area

67.283

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M372-0674 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

SmartTM Library (51161 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M372-0674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M372-0674?
Check Price and Availability of M372-0674, 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 M372-0674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M372-0674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M372-0674
  • 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 M372-0674 available by request