E532-2893 Screening compound: N-{2-chloro-5-methoxy-4-[(prop-2-en-1-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-2893 Screening compound: N-{2-chloro-5-methoxy-4-[(prop-2-en-1-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-2893 Screening compound: N-{2-chloro-5-methoxy-4-[(prop-2-en-1-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-2893
N-{2-chloro-5-methoxy-4-[(prop-2-en-1-yl)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

E532-2893

Molecular Formula

C17H19ClN2O4S (C17 H19 ClN2 O4 S)

Compound Name

N-{2-chloro-5-methoxy-4-[(prop-2-en-1-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

IUPAC name

N-{2-chloro-5-methoxy-4-[(prop-2-en-1-yl)carbamoyl]phenyl}-2-methyl-56-dihydro-14-oxathiine-3-carboxamide

SMILES

CC1=C(C(Nc(cc(c(C(NCC=C)=O)c2)OC)c2Cl)=O)SCCO1

InChI

InChI=1S/C17H19ClN2O4S/c1-4-5-19-16(21)11-8-12(18)13(9-14(11)23-3)20-17(22)15-10(2)24-6-7-25-15/h4,8-9H,1,5-7H2,2-3H3,(H,19,21)(H,20,22)

InChI Key

AKHJMBHWWVUHDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

-0.210

Water Solubility, LogSw

-3.47

Polar Surface Area

63.059

Acid Dissociation Constant (pKa)

4.52

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with E532-2893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-2893?
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What is the minimum amount of E532-2893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-2893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-2893
  • 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 E532-2893 available by request