C514-0321 Screening compound: 1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

C514-0321 Screening compound: 1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
C514-0321 Screening compound: 1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0321
1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-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

C514-0321

Molecular Formula

C25H36N4O4S2 (C25 H36 N4 O4 S2)

Compound Name

1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

IUPAC name

1-({3-methyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]-12-oxazol-4-yl}sulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

SMILES

CC1CN(CCCNC(C(CC2)CCN2S(c2c(/C=C/c3cccs3)onc2C)(=O)=O)=O)CCC1

InChI

InChI=1S/C25H36N4O4S2/c1-19-6-3-13-28(18-19)14-5-12-26-25(30)21-10-15-29(16-11-21)35(31,32)24-20(2)27-33-23(24)9-8-22-7-4-17-34-22/h4,7-9,17,19,21H,3,5-6,10-16,18H2,1-2H3,(H,26,30)/t19-/m0/s1

InChI Key

IXYMTARGRYZLSM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14763420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

-0.099

Water Solubility, LogSw

-2.78

Polar Surface Area

82.654

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

C514-0321 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 C514-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0321?
Check Price and Availability of C514-0321, 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 C514-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0321
  • 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 C514-0321 available by request