8017-7934 Screening compound: methyl 2-{6'-amino-4-bromo-5'-cyano-5-methyl-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl}acetate

8017-7934 Screening compound: methyl 2-{6'-amino-4-bromo-5'-cyano-5-methyl-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl}acetate
8017-7934 Screening compound: methyl 2-{6'-amino-4-bromo-5'-cyano-5-methyl-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7934
methyl 2-{6'-amino-4-bromo-5'-cyano-5-methyl-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl}acetate

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

8017-7934

Molecular Formula

C18H14BrN5O4 (C18 H14 BrN5 O4)

Compound Name

methyl 2-{6'-amino-4-bromo-5'-cyano-5-methyl-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl}acetate

IUPAC name

methyl 2-{6'-amino-4-bromo-5'-cyano-5-methyl-2-oxo-12-dihydro-2'H-spiro[indole-34'-pyrano[23-c]pyrazol]-3'-yl}acetate

SMILES

Cc(ccc(NC1=O)c2C11C(C#N)=C(N)Oc3n[nH]c(CC(OC)=O)c13)c2Br

InChI

InChI=1S/C18H14BrN5O4/c1-7-3-4-9-12(14(7)19)18(17(26)22-9)8(6-20)15(21)28-16-13(18)10(23-24-16)5-11(25)27-2/h3-4H,5,21H2,1-2H3,(H,22,26)(H,23,24)/t18-/m0/s1

InChI Key

NMDKRMOOULZDQA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06618266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.766

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-2.32

Polar Surface Area

117.062

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8017-7934 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-7934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7934?
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What is the minimum amount of 8017-7934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7934
  • 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 8017-7934 available by request