C514-0047 Screening compound: 1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-(3-methylpiperidine-1-carbonyl)piperidine

C514-0047 Screening compound: 1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-(3-methylpiperidine-1-carbonyl)piperidine
C514-0047 Screening compound: 1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-(3-methylpiperidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0047
1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-(3-methylpiperidine-1-carbonyl)piperidine

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

C514-0047

Molecular Formula

C25H33N3O5S (C25 H33 N3 O5 S)

Compound Name

1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-(3-methylpiperidine-1-carbonyl)piperidine

IUPAC name

1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)-4-(3-methylpiperidine-1-carbonyl)piperidine

SMILES

CC(CCC1)CN1C(C(CC1)CCN1S(c1c(/C=C\c(cc2)ccc2OC)onc1C)(=O)=O)=O

InChI

InChI=1S/C25H33N3O5S/c1-18-5-4-14-27(17-18)25(29)21-12-15-28(16-13-21)34(30,31)24-19(2)26-33-23(24)11-8-20-6-9-22(32-3)10-7-20/h6-11,18,21H,4-5,12-17H2,1-3H3/t18-/m0/s1

InChI Key

QUPWETSZHMZNHG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14763338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.55

Polar Surface Area

77.590

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

C514-0047 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C514-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0047?
Check Price and Availability of C514-0047, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C514-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0047
  • 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 C514-0047 available by request