8008-3709 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinazolin-4-one

8008-3709 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinazolin-4-one
8008-3709 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3709
2-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinazolin-4-one

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

8008-3709

Molecular Formula

C21H14Cl2N2O3 (C21 H14 Cl2 N2 O3)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

2-(2H-13-benzodioxol-5-yl)-3-(34-dichlorophenyl)-1234-tetrahydroquinazolin-4-one

SMILES

O=C(c(cccc1)c1NC1c(cc2)cc3c2OCO3)N1c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C21H14Cl2N2O3/c22-15-7-6-13(10-16(15)23)25-20(12-5-8-18-19(9-12)28-11-27-18)24-17-4-2-1-3-14(17)21(25)26/h1-10,20,24H,11H2/t20-/m0/s1

InChI Key

UKSZLACEBWNHBE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01306127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.608

Distribution Coefficient, logD

5.608

Water Solubility, LogSw

-6.03

Polar Surface Area

43.847

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

8008-3709 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8008-3709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3709?
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What is the minimum amount of 8008-3709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3709
  • 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 8008-3709 available by request