8016-7204 Screening compound: 7-amino-8'-methoxy-1,3,4',4',6'-pentamethyl-2,2',4-trioxo-1,2,3,4-tetrahydro-4'H-spiro[pyrano[2,3-d]pyrimidine-5,1'-pyrrolo[3,2,1-ij]quinoline]-6-carbonitrile

8016-7204 Screening compound: 7-amino-8'-methoxy-1,3,4',4',6'-pentamethyl-2,2',4-trioxo-1,2,3,4-tetrahydro-4'H-spiro[pyrano[2,3-d]pyrimidine-5,1'-pyrrolo[3,2,1-ij]quinoline]-6-carbonitrile
8016-7204 Screening compound: 7-amino-8'-methoxy-1,3,4',4',6'-pentamethyl-2,2',4-trioxo-1,2,3,4-tetrahydro-4'H-spiro[pyrano[2,3-d]pyrimidine-5,1'-pyrrolo[3,2,1-ij]quinoline]-6-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7204
7-amino-8'-methoxy-1,3,4',4',6'-pentamethyl-2,2',4-trioxo-1,2,3,4-tetrahydro-4'H-spiro[pyrano[2,3-d]pyrimidine-5,1'-pyrrolo[3,2,1-ij]quinoline]-6-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

8016-7204

Molecular Formula

C24H23N5O5 (C24 H23 N5 O5)

Compound Name

7-amino-8'-methoxy-1,3,4',4',6'-pentamethyl-2,2',4-trioxo-1,2,3,4-tetrahydro-4'H-spiro[pyrano[2,3-d]pyrimidine-5,1'-pyrrolo[3,2,1-ij]quinoline]-6-carbonitrile

IUPAC name

7-amino-10'-methoxy-135'5'7'-pentamethyl-23'4-trioxo-1234-tetrahydro-4'-azaspiro[pyrano[23-d]pyrimidine-52'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')6'8'(12')9'-tetraene-6-carbonitrile

SMILES

CC(C)(C=C(C)c1c2)N(C(C34C(C#N)=C(N)OC(N(C)C(N5C)=O)=C3C5=O)=O)c1c4cc2OC

InChI

InChI=1S/C24H23N5O5/c1-11-9-23(2,3)29-17-13(11)7-12(33-6)8-14(17)24(21(29)31)15(10-25)18(26)34-20-16(24)19(30)27(4)22(32)28(20)5/h7-9H,26H2,1-6H3/t24-/m1/s1

InChI Key

WHRGUWRTKKYYPF-XMMPIXPASA-N

MDL Number (MFCD)

MFCD04190758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.252

Distribution Coefficient, logD

2.252

Water Solubility, LogSw

-2.61

Polar Surface Area

101.890

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8016-7204 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8016-7204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7204?
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What is the minimum amount of 8016-7204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7204
  • 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 8016-7204 available by request