8019-5813 Screening compound: 1-[(2-fluorophenyl)methyl]-3'-[4-(piperidine-1-carbonyl)phenyl]-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione

8019-5813 Screening compound: 1-[(2-fluorophenyl)methyl]-3'-[4-(piperidine-1-carbonyl)phenyl]-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione
8019-5813 Screening compound: 1-[(2-fluorophenyl)methyl]-3'-[4-(piperidine-1-carbonyl)phenyl]-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5813
1-[(2-fluorophenyl)methyl]-3'-[4-(piperidine-1-carbonyl)phenyl]-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione

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

8019-5813

Molecular Formula

C34H29FN4O3 (C34 H29 FN4 O3)

Compound Name

1-[(2-fluorophenyl)methyl]-3'-[4-(piperidine-1-carbonyl)phenyl]-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione

IUPAC name

1-[(2-fluorophenyl)methyl]-3'-[4-(piperidine-1-carbonyl)phenyl]-123'4'-tetrahydro-1'H-spiro[indole-32'-quinazoline]-24'-dione

SMILES

O=C(c(cc1)ccc1N(C(c(cccc1)c1N1Cc(cccc2)c2F)(C1=O)Nc1c2cccc1)C2=O)N1CCCCC1

InChI

InChI=1S/C34H29FN4O3/c35-28-13-5-2-10-24(28)22-38-30-15-7-4-12-27(30)34(33(38)42)36-29-14-6-3-11-26(29)32(41)39(34)25-18-16-23(17-19-25)31(40)37-20-8-1-9-21-37/h2-7,10-19,36H,1,8-9,20-22H2/t34-/m0/s1

InChI Key

HXBDVNWQDSMNPD-UMSFTDKQSA-N

MDL Number (MFCD)

MFCD10038365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.350

Distribution Coefficient, logD

5.350

Water Solubility, LogSw

-5.48

Polar Surface Area

58.685

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.60

8019-5813 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8019-5813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5813?
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What is the minimum amount of 8019-5813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5813
  • 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 8019-5813 available by request