E722-2555 Screening compound: N~3~-(4-bromo-3-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

E722-2555 Screening compound: N~3~-(4-bromo-3-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
E722-2555 Screening compound: N~3~-(4-bromo-3-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-2555
N~3~-(4-bromo-3-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-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

E722-2555

Molecular Formula

C19H18BrNOS2 (C19 H18 BrNOS2)

Compound Name

N~3~-(4-bromo-3-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

IUPAC name

N-(4-bromo-3-methylphenyl)-48-dithiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-triene-5-carboxamide

SMILES

Cc(cc(cc1)NC(C(SC2)=Cc3c2c(CCCC2)c2s3)=O)c1Br

InChI

InChI=1S/C19H18BrNOS2/c1-11-8-12(6-7-15(11)20)21-19(22)18-9-17-14(10-23-18)13-4-2-3-5-16(13)24-17/h6-9H,2-5,10H2,1H3,(H,21,22)

InChI Key

CKDBCQNVJKLUMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.272

Distribution Coefficient, logD

6.272

Water Solubility, LogSw

-5.36

Polar Surface Area

24.189

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with E722-2555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2555?
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What is the minimum amount of E722-2555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2555
  • 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 E722-2555 available by request