D647-0204 Screening compound: 5-(3,4-dimethylphenyl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide

D647-0204 Screening compound: 5-(3,4-dimethylphenyl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
D647-0204 Screening compound: 5-(3,4-dimethylphenyl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D647-0204
5-(3,4-dimethylphenyl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-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

D647-0204

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

5-(3,4-dimethylphenyl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(34-dimethylphenyl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-12-oxazole-3-carboxamide

SMILES

Cc(cc1)c(C)cc1-c1cc(C(NCC(c2cccs2)N2CCCCC2)=O)no1

InChI

InChI=1S/C23H27N3O2S/c1-16-8-9-18(13-17(16)2)21-14-19(25-28-21)23(27)24-15-20(22-7-6-12-29-22)26-10-4-3-5-11-26/h6-9,12-14,20H,3-5,10-11,15H2,1-2H3,(H,24,27)/t20-/m0/s1

InChI Key

UWBYWRGTXOHWRC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD18079096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

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

4.826

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.43

Polar Surface Area

50.195

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

D647-0204 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 D647-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D647-0204?
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What is the minimum amount of D647-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D647-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D647-0204
  • 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 D647-0204 available by request