M739-0477 Screening compound: 4-(4-{[1-(2-chloro-5-fluorobenzoyl)pyrrolidin-2-yl]methoxy}benzoyl)morpholine

M739-0477 Screening compound: 4-(4-{[1-(2-chloro-5-fluorobenzoyl)pyrrolidin-2-yl]methoxy}benzoyl)morpholine
M739-0477 Screening compound: 4-(4-{[1-(2-chloro-5-fluorobenzoyl)pyrrolidin-2-yl]methoxy}benzoyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound M739-0477
4-(4-{[1-(2-chloro-5-fluorobenzoyl)pyrrolidin-2-yl]methoxy}benzoyl)morpholine

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

M739-0477

Molecular Formula

C23H24ClFN2O4 (C23 H24 ClFN2 O4)

Compound Name

4-(4-{[1-(2-chloro-5-fluorobenzoyl)pyrrolidin-2-yl]methoxy}benzoyl)morpholine

IUPAC name

4-(4-{[1-(2-chloro-5-fluorobenzoyl)pyrrolidin-2-yl]methoxy}benzoyl)morpholine

SMILES

O=C(c(cc(cc1)F)c1Cl)N1C(COc(cc2)ccc2C(N2CCOCC2)=O)CCC1

InChI

InChI=1S/C23H24ClFN2O4/c24-21-8-5-17(25)14-20(21)23(29)27-9-1-2-18(27)15-31-19-6-3-16(4-7-19)22(28)26-10-12-30-13-11-26/h3-8,14,18H,1-2,9-13,15H2/t18-/m1/s1

InChI Key

RIZABCOYUDUPQN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27552356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

3.043

Water Solubility, LogSw

-3.78

Polar Surface Area

48.683

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

M739-0477 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M739-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M739-0477?
Check Price and Availability of M739-0477, 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 M739-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M739-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M739-0477
  • 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 M739-0477 available by request