M745-0597 Screening compound: 4-{[1-(oxolane-2-carbonyl)piperidin-4-yl]methoxy}-N-(propan-2-yl)benzamide

M745-0597 Screening compound: 4-{[1-(oxolane-2-carbonyl)piperidin-4-yl]methoxy}-N-(propan-2-yl)benzamide
M745-0597 Screening compound: 4-{[1-(oxolane-2-carbonyl)piperidin-4-yl]methoxy}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M745-0597
4-{[1-(oxolane-2-carbonyl)piperidin-4-yl]methoxy}-N-(propan-2-yl)benzamide

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

M745-0597

Molecular Formula

C21H30N2O4 (C21 H30 N2 O4)

Compound Name

4-{[1-(oxolane-2-carbonyl)piperidin-4-yl]methoxy}-N-(propan-2-yl)benzamide

IUPAC name

4-{[1-(oxolane-2-carbonyl)piperidin-4-yl]methoxy}-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c(cc1)ccc1OCC(CC1)CCN1C(C1OCCC1)=O)=O

InChI

InChI=1S/C21H30N2O4/c1-15(2)22-20(24)17-5-7-18(8-6-17)27-14-16-9-11-23(12-10-16)21(25)19-4-3-13-26-19/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,22,24)/t19-/m0/s1

InChI Key

KBWBNNGQJNWTBR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27553161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.151

Distribution Coefficient, logD

2.151

Water Solubility, LogSw

-2.60

Polar Surface Area

56.185

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

M745-0597 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M745-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M745-0597?
Check Price and Availability of M745-0597, 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 M745-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M745-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M745-0597
  • 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 M745-0597 available by request