E532-0021 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-0021 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-0021 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-0021
N-{2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-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

E532-0021

Molecular Formula

C24H26ClN3O3S (C24 H26 ClN3 O3 S)

Compound Name

N-{2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

IUPAC name

N-{2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-56-dihydro-14-oxathiine-3-carboxamide

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(c(cccc1)c1NC(C1=C(C)OCCS1)=O)=O

InChI

InChI=1S/C24H26ClN3O3S/c1-16-7-8-18(25)15-21(16)27-9-11-28(12-10-27)24(30)19-5-3-4-6-20(19)26-23(29)22-17(2)31-13-14-32-22/h3-8,15H,9-14H2,1-2H3,(H,26,29)

InChI Key

BPSAKPAYIKKQKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.840

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-4.26

Polar Surface Area

50.510

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E532-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-0021?
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What is the minimum amount of E532-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-0021
  • 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 E532-0021 available by request