D647-0116 Screening compound: 5-(4-ethoxyphenyl)-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1,2-oxazole-3-carboxamide

D647-0116 Screening compound: 5-(4-ethoxyphenyl)-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
D647-0116 Screening compound: 5-(4-ethoxyphenyl)-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D647-0116
5-(4-ethoxyphenyl)-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1,2-oxazole-3-carboxamide

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

D647-0116

Molecular Formula

C27H33N3O4 (C27 H33 N3 O4)

Compound Name

5-(4-ethoxyphenyl)-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-ethoxyphenyl)-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-12-oxazole-3-carboxamide

SMILES

CCOc(cc1)ccc1-c1cc(C(NCC(c2ccc(C(C)C)cc2)N2CCOCC2)=O)no1

InChI

InChI=1S/C27H33N3O4/c1-4-33-23-11-9-22(10-12-23)26-17-24(29-34-26)27(31)28-18-25(30-13-15-32-16-14-30)21-7-5-20(6-8-21)19(2)3/h5-12,17,19,25H,4,13-16,18H2,1-3H3,(H,28,31)/t25-/m0/s1

InChI Key

DCZJPTPAKNHAQH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD18078921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.996

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-4.45

Polar Surface Area

64.208

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

D647-0116 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D647-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D647-0116?
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What is the minimum amount of D647-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D647-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D647-0116
  • 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 D647-0116 available by request