8013-0591 Screening compound: N~1~-{4-[chloro(difluoro)methoxy]phenyl}-3-morpholinopropanamide

8013-0591 Screening compound: N~1~-{4-[chloro(difluoro)methoxy]phenyl}-3-morpholinopropanamide
8013-0591 Screening compound: N~1~-{4-[chloro(difluoro)methoxy]phenyl}-3-morpholinopropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0591
N~1~-{4-[chloro(difluoro)methoxy]phenyl}-3-morpholinopropanamide

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

8013-0591

Molecular Formula

C14H17ClF2N2O3 (C14 H17 ClF2 N2 O3)

Compound Name

N~1~-{4-[chloro(difluoro)methoxy]phenyl}-3-morpholinopropanamide

IUPAC name

N-[4-(chlorodifluoromethoxy)phenyl]-3-(morpholin-4-yl)propanamide

SMILES

O=C(CCN1CCOCC1)Nc(cc1)ccc1OC(F)(F)Cl

InChI

InChI=1S/C14H17ClF2N2O3/c15-14(16,17)22-12-3-1-11(2-4-12)18-13(20)5-6-19-7-9-21-10-8-19/h1-4H,5-10H2,(H,18,20)

InChI Key

HWHFHPJENREQAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408628

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

334.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.119

Distribution Coefficient, logD

2.091

Water Solubility, LogSw

-3.14

Polar Surface Area

41.505

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8013-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0591?
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What is the minimum amount of 8013-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0591
  • 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 8013-0591 available by request