8012-0595 Screening compound: 6'-amino-4-bromo-3'-(4-ethoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

8012-0595 Screening compound: 6'-amino-4-bromo-3'-(4-ethoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
8012-0595 Screening compound: 6'-amino-4-bromo-3'-(4-ethoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0595
6'-amino-4-bromo-3'-(4-ethoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

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

8012-0595

Molecular Formula

C23H18BrN5O3 (C23 H18 BrN5 O3)

Compound Name

6'-amino-4-bromo-3'-(4-ethoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

IUPAC name

6'-amino-4-bromo-3'-(4-ethoxyphenyl)-5-methyl-2-oxo-12-dihydro-1'H-spiro[indole-34'-pyrano[23-c]pyrazole]-5'-carbonitrile

SMILES

CCOc(cc1)ccc1-c1n[nH]c2c1C(c(c(Br)c(C)cc1)c1N1)(C1=O)C(C#N)=C(N)O2

InChI

InChI=1S/C23H18BrN5O3/c1-3-31-13-7-5-12(6-8-13)19-17-21(29-28-19)32-20(26)14(10-25)23(17)16-15(27-22(23)30)9-4-11(2)18(16)24/h4-9H,3,26H2,1-2H3,(H,27,30)(H,28,29)/t23-/m0/s1

InChI Key

URTDOPKQGOLJPW-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03035655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.794

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-4.41

Polar Surface Area

102.840

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

8012-0595 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8012-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0595?
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What is the minimum amount of 8012-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0595
  • 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 8012-0595 available by request