C514-0077 Screening compound: 1-[1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-3,5-dimethylpiperidine

C514-0077 Screening compound: 1-[1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-3,5-dimethylpiperidine
C514-0077 Screening compound: 1-[1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-3,5-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0077
1-[1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-3,5-dimethylpiperidine

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

C514-0077

Molecular Formula

C26H35N3O5S (C26 H35 N3 O5 S)

Compound Name

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

IUPAC name

1-[1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]-35-dimethylpiperidine

SMILES

CC(CC(C)C1)CN1C(C(CC1)CCN1S(c1c(/C=C\c(cc2)ccc2OC)onc1C)(=O)=O)=O

InChI

InChI=1S/C26H35N3O5S/c1-18-15-19(2)17-28(16-18)26(30)22-11-13-29(14-12-22)35(31,32)25-20(3)27-34-24(25)10-7-21-5-8-23(33-4)9-6-21/h5-10,18-19,22H,11-17H2,1-4H3

InChI Key

VAMGJPXHAVASRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.65

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

3.984

Distribution Coefficient, logD

3.984

Water Solubility, LogSw

-4.08

Polar Surface Area

77.524

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

C514-0077 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with C514-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0077?
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What is the minimum amount of C514-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0077
  • 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 C514-0077 available by request