C514-0163 Screening compound: ethyl 4-[1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazine-1-carboxylate

C514-0163 Screening compound: ethyl 4-[1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazine-1-carboxylate
C514-0163 Screening compound: ethyl 4-[1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0163
ethyl 4-[1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazine-1-carboxylate

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

C514-0163

Molecular Formula

C23H30N4O6S2 (C23 H30 N4 O6 S2)

Compound Name

ethyl 4-[1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-12-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(CC1)CCN1S(c1c(/C=C/c2cccs2)onc1C)(=O)=O)=O)=O

InChI

InChI=1S/C23H30N4O6S2/c1-3-32-23(29)26-14-12-25(13-15-26)22(28)18-8-10-27(11-9-18)35(30,31)21-17(2)24-33-20(21)7-6-19-5-4-16-34-19/h4-7,16,18H,3,8-15H2,1-2H3

InChI Key

UNDLPNLVCTXRGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.152

Distribution Coefficient, logD

2.152

Water Solubility, LogSw

-2.40

Polar Surface Area

93.912

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with C514-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0163?
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What is the minimum amount of C514-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0163
  • 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 C514-0163 available by request