E738-0264 Screening compound: 2-amino-4-(3-bromophenyl)-6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

E738-0264 Screening compound: 2-amino-4-(3-bromophenyl)-6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide
E738-0264 Screening compound: 2-amino-4-(3-bromophenyl)-6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound E738-0264
2-amino-4-(3-bromophenyl)-6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

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

E738-0264

Molecular Formula

C26H20BrN3O3S (C26 H20 BrN3 O3 S)

Compound Name

2-amino-4-(3-bromophenyl)-6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

IUPAC name

4-amino-6-(3-bromophenyl)-9-[(4-methylphenyl)methyl]-88-dioxo-3-oxa-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)41012-pentaene-5-carbonitrile

SMILES

Cc1ccc(CN(c(cccc2)c2C2=C3C(c4cccc(Br)c4)C(C#N)=C(N)O2)S3(=O)=O)cc1

InChI

InChI=1S/C26H20BrN3O3S/c1-16-9-11-17(12-10-16)15-30-22-8-3-2-7-20(22)24-25(34(30,31)32)23(21(14-28)26(29)33-24)18-5-4-6-19(27)13-18/h2-13,23H,15,29H2,1H3/t23-/m0/s1

InChI Key

CICZQSKMAPAMPT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14914474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.199

Distribution Coefficient, logD

5.199

Water Solubility, LogSw

-5.21

Polar Surface Area

77.573

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with E738-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E738-0264?
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What is the minimum amount of E738-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E738-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E738-0264
  • 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 E738-0264 available by request