E532-0287 Screening compound: N-(2-{[(2-bromophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-0287 Screening compound: N-(2-{[(2-bromophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-0287 Screening compound: N-(2-{[(2-bromophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-0287
N-(2-{[(2-bromophenyl)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

E532-0287

Molecular Formula

C20H19BrN2O3S (C20 H19 BrN2 O3 S)

Compound Name

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

IUPAC name

N-(2-{[(2-bromophenyl)methyl]carbamoyl}phenyl)-2-methyl-56-dihydro-14-oxathiine-3-carboxamide

SMILES

CC1=C(C(Nc(cccc2)c2C(NCc(cccc2)c2Br)=O)=O)SCCO1

InChI

InChI=1S/C20H19BrN2O3S/c1-13-18(27-11-10-26-13)20(25)23-17-9-5-3-7-15(17)19(24)22-12-14-6-2-4-8-16(14)21/h2-9H,10-12H2,1H3,(H,22,24)(H,23,25)

InChI Key

JMBJNZVJZJDKCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.051

Water Solubility, LogSw

-3.69

Polar Surface Area

55.316

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with E532-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-0287?
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What is the minimum amount of E532-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-0287
  • 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 E532-0287 available by request