C514-0087 Screening compound: 1-ethyl-4-[1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazine

C514-0087 Screening compound: 1-ethyl-4-[1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazine
C514-0087 Screening compound: 1-ethyl-4-[1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0087
1-ethyl-4-[1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]piperazine

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

C514-0087

Molecular Formula

C25H34N4O5S (C25 H34 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(C(CC1)CCN1S(c1c(/C=C\c(cc2)ccc2OC)onc1C)(=O)=O)=O

InChI

InChI=1S/C25H34N4O5S/c1-4-27-15-17-28(18-16-27)25(30)21-11-13-29(14-12-21)35(31,32)24-19(2)26-34-23(24)10-7-20-5-8-22(33-3)9-6-20/h5-10,21H,4,11-18H2,1-3H3

InChI Key

CXTZTSCODUTCQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

1.856

Water Solubility, LogSw

-2.50

Polar Surface Area

81.194

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

C514-0087 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C514-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0087?
Check Price and Availability of C514-0087, 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 C514-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0087
  • 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 C514-0087 available by request