D486-0605 Screening compound: 5-(4-methylphenyl)-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide

D486-0605 Screening compound: 5-(4-methylphenyl)-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
D486-0605 Screening compound: 5-(4-methylphenyl)-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D486-0605
5-(4-methylphenyl)-N-[2-(pyrrolidin-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

D486-0605

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

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

IUPAC name

5-(4-methylphenyl)-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-12-oxazole-3-carboxamide

SMILES

Cc(cc1)ccc1-c1cc(C(NCC(c2cccs2)N2CCCC2)=O)no1

InChI

InChI=1S/C21H23N3O2S/c1-15-6-8-16(9-7-15)19-13-17(23-26-19)21(25)22-14-18(20-5-4-12-27-20)24-10-2-3-11-24/h4-9,12-13,18H,2-3,10-11,14H2,1H3,(H,22,25)/t18-/m0/s1

InChI Key

DHWIEPOEJCWMMP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12920958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

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

3.916

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-3.83

Polar Surface Area

50.561

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D486-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D486-0605?
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What is the minimum amount of D486-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D486-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D486-0605
  • 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 D486-0605 available by request