E532-0831 Screening compound: N-[5-chloro-2-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-0831 Screening compound: N-[5-chloro-2-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-0831 Screening compound: N-[5-chloro-2-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-0831
N-[5-chloro-2-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)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

E532-0831

Molecular Formula

C23H25ClN2O4S (C23 H25 ClN2 O4 S)

Compound Name

N-[5-chloro-2-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

IUPAC name

N-[5-chloro-2-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-2-methyl-56-dihydro-14-oxathiine-3-carboxamide

SMILES

CC(C)Oc1ccc(CNC(c(ccc(Cl)c2)c2NC(C2=C(C)OCCS2)=O)=O)cc1

InChI

InChI=1S/C23H25ClN2O4S/c1-14(2)30-18-7-4-16(5-8-18)13-25-22(27)19-9-6-17(24)12-20(19)26-23(28)21-15(3)29-10-11-31-21/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,27)(H,26,28)

InChI Key

QWICMPSPBZWKTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.612

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-4.01

Polar Surface Area

62.118

Acid Dissociation Constant (pKa)

5.58

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with E532-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-0831?
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What is the minimum amount of E532-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-0831
  • 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 E532-0831 available by request