D647-0107 Screening compound: 5-(4-ethoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

D647-0107 Screening compound: 5-(4-ethoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
D647-0107 Screening compound: 5-(4-ethoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D647-0107
5-(4-ethoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)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

D647-0107

Molecular Formula

C25H31N3O4 (C25 H31 N3 O4)

Compound Name

5-(4-ethoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-ethoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-12-oxazole-3-carboxamide

SMILES

CCOc(cc1)ccc1-c1cc(C(NCC(c2ccc(C)o2)N2CCC(C)CC2)=O)no1

InChI

InChI=1S/C25H31N3O4/c1-4-30-20-8-6-19(7-9-20)24-15-21(27-32-24)25(29)26-16-22(23-10-5-18(3)31-23)28-13-11-17(2)12-14-28/h5-10,15,17,22H,4,11-14,16H2,1-3H3,(H,26,29)/t22-/m0/s1

InChI Key

CMVQURNCIITSIY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD18078925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.44

Polar Surface Area

64.392

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

D647-0107 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D647-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D647-0107?
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What is the minimum amount of D647-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D647-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D647-0107
  • 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 D647-0107 available by request