M745-0197 Screening compound: (5-methyl-2-thienyl)(4-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}piperidino)methanone

M745-0197 Screening compound: (5-methyl-2-thienyl)(4-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}piperidino)methanone
M745-0197 Screening compound: (5-methyl-2-thienyl)(4-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M745-0197
(5-methyl-2-thienyl)(4-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}piperidino)methanone

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

M745-0197

Molecular Formula

C23H28N2O3S (C23 H28 N2 O3 S)

Compound Name

(5-methyl-2-thienyl)(4-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}piperidino)methanone

IUPAC name

n/a

SMILES

Cc1ccc(C(N2CCC(COc(cc3)ccc3C(N3CCCC3)=O)CC2)=O)s1

InChI

InChI=1S/C23H28N2O3S/c1-17-4-9-21(29-17)23(27)25-14-10-18(11-15-25)16-28-20-7-5-19(6-8-20)22(26)24-12-2-3-13-24/h4-9,18H,2-3,10-16H2,1H3

InChI Key

NFXLOILNTSNKNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27552964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.25

Polar Surface Area

42.147

Acid Dissociation Constant (pKa)

25.84

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

M745-0197 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M745-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M745-0197?
Check Price and Availability of M745-0197, 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 M745-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M745-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M745-0197
  • 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 M745-0197 available by request