M745-0199 Screening compound: 1-(3,4-difluorobenzoyl)-4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine

M745-0199 Screening compound: 1-(3,4-difluorobenzoyl)-4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine
M745-0199 Screening compound: 1-(3,4-difluorobenzoyl)-4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M745-0199
1-(3,4-difluorobenzoyl)-4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine

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

M745-0199

Molecular Formula

C24H26F2N2O3 (C24 H26 F2 N2 O3)

Compound Name

1-(3,4-difluorobenzoyl)-4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine

IUPAC name

1-(34-difluorobenzoyl)-4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine

SMILES

O=C(c(cc1)ccc1OCC(CC1)CCN1C(c(cc1)cc(F)c1F)=O)N1CCCC1

InChI

InChI=1S/C24H26F2N2O3/c25-21-8-5-19(15-22(21)26)24(30)28-13-9-17(10-14-28)16-31-20-6-3-18(4-7-20)23(29)27-11-1-2-12-27/h3-8,15,17H,1-2,9-14,16H2

InChI Key

DFEWYLGLKGJCRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27552966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.48

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

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-4.08

Polar Surface Area

41.129

Acid Dissociation Constant (pKa)

25.84

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

M745-0199 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 M745-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M745-0199?
Check Price and Availability of M745-0199, 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 M745-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M745-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M745-0199
  • 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 M745-0199 available by request