D486-0668 Screening compound: N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

D486-0668 Screening compound: N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
D486-0668 Screening compound: N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D486-0668
N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-5-(thiophen-2-yl)-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

D486-0668

Molecular Formula

C16H17N3O2S2 (C16 H17 N3 O2 S2)

Compound Name

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

IUPAC name

N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-5-(thiophen-2-yl)-12-oxazole-3-carboxamide

SMILES

CN(C)C(CNC(c1noc(-c2cccs2)c1)=O)c1cccs1

InChI

InChI=1S/C16H17N3O2S2/c1-19(2)12(14-5-3-7-22-14)10-17-16(20)11-9-13(21-18-11)15-6-4-8-23-15/h3-9,12H,10H2,1-2H3,(H,17,20)/t12-/m0/s1

InChI Key

CKFCDRHOJPOAFC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD12920962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

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

2.850

Distribution Coefficient, logD

2.641

Water Solubility, LogSw

-3.34

Polar Surface Area

50.565

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D486-0668 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 D486-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D486-0668?
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What is the minimum amount of D486-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D486-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D486-0668
  • 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 D486-0668 available by request