8014-9135 Screening compound: 2-amino-9-bromo-5-oxo-4-phenyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c]chromen-1-yl cyanide

8014-9135 Screening compound: 2-amino-9-bromo-5-oxo-4-phenyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c]chromen-1-yl cyanide
8014-9135 Screening compound: 2-amino-9-bromo-5-oxo-4-phenyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c]chromen-1-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9135
2-amino-9-bromo-5-oxo-4-phenyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c]chromen-1-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

8014-9135

Molecular Formula

C19H13BrN2O2S (C19 H13 BrN2 O2 S)

Compound Name

2-amino-9-bromo-5-oxo-4-phenyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c]chromen-1-yl cyanide

IUPAC name

4-amino-13-bromo-8-oxo-6-phenyl-9-oxa-5-thiatricyclo[8.4.0.0^{27}]tetradeca-1(14)31012-tetraene-3-carbonitrile

SMILES

NC(SC(C(C1c(cc(cc2)Br)c2O2)C2=O)c2ccccc2)=C1C#N

InChI

InChI=1S/C19H13BrN2O2S/c20-11-6-7-14-12(8-11)15-13(9-21)18(22)25-17(16(15)19(23)24-14)10-4-2-1-3-5-10/h1-8,15-17H,22H2

InChI Key

NWTODZYPKBLJMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-4.40

Polar Surface Area

57.941

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

15.80

8014-9135 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8014-9135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9135?
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What is the minimum amount of 8014-9135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9135
  • 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 8014-9135 available by request