2300-3266 Screening compound: (2Z)-6-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-fluorophenyl)-2H-chromene-3-carboxamide

2300-3266 Screening compound: (2Z)-6-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-fluorophenyl)-2H-chromene-3-carboxamide
2300-3266 Screening compound: (2Z)-6-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-fluorophenyl)-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2300-3266
(2Z)-6-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-fluorophenyl)-2H-chromene-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

2300-3266

Molecular Formula

C25H17BrFN3O2S (C25 H17 BrFN3 O2 S)

Compound Name

(2Z)-6-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-fluorophenyl)-2H-chromene-3-carboxamide

IUPAC name

(2Z)-6-bromo-2-[(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-fluorophenyl)-2H-chromene-3-carboxamide

SMILES

N#Cc1c(/N=C2\Oc(ccc(Br)c3)c3C=C2C(Nc(cc2)ccc2F)=O)sc2c1CCCC2

InChI

InChI=1S/C25H17BrFN3O2S/c26-15-5-10-21-14(11-15)12-19(23(31)29-17-8-6-16(27)7-9-17)24(32-21)30-25-20(13-28)18-3-1-2-4-22(18)33-25/h5-12H,1-4H2,(H,29,31)

InChI Key

NTGSHHAAYMNWPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01840962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.125

Distribution Coefficient, logD

6.120

Water Solubility, LogSw

-5.97

Polar Surface Area

55.807

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 2300-3266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2300-3266?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2300-3266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2300-3266
  • 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 2300-3266 available by request