D385-0405 Screening compound: 2-[({5,5-diethyl-4-oxo-3H,4H,5H,6H-benzo[h]quinazolin-2-yl}methyl)sulfanyl]-3-methyl-3,4-dihydroquinazolin-4-one

D385-0405 Screening compound: 2-[({5,5-diethyl-4-oxo-3H,4H,5H,6H-benzo[h]quinazolin-2-yl}methyl)sulfanyl]-3-methyl-3,4-dihydroquinazolin-4-one
D385-0405 Screening compound: 2-[({5,5-diethyl-4-oxo-3H,4H,5H,6H-benzo[h]quinazolin-2-yl}methyl)sulfanyl]-3-methyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D385-0405
2-[({5,5-diethyl-4-oxo-3H,4H,5H,6H-benzo[h]quinazolin-2-yl}methyl)sulfanyl]-3-methyl-3,4-dihydroquinazolin-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

D385-0405

Molecular Formula

C26H26N4O2S (C26 H26 N4 O2 S)

Compound Name

2-[({5,5-diethyl-4-oxo-3H,4H,5H,6H-benzo[h]quinazolin-2-yl}methyl)sulfanyl]-3-methyl-3,4-dihydroquinazolin-4-one

IUPAC name

2-[({55-diethyl-4-oxo-3H4H5H6H-benzo[h]quinazolin-2-yl}methyl)sulfanyl]-3-methyl-34-dihydroquinazolin-4-one

SMILES

CCC(CC)(Cc1c2cccc1)C1=C2N=C(CSC(N2C)=Nc(cccc3)c3C2=O)NC1=O

InChI

InChI=1S/C26H26N4O2S/c1-4-26(5-2)14-16-10-6-7-11-17(16)22-21(26)23(31)29-20(28-22)15-33-25-27-19-13-9-8-12-18(19)24(32)30(25)3/h6-13H,4-5,14-15H2,1-3H3,(H,28,29,31)

InChI Key

BKDUPQNGEHEIEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.14

Polar Surface Area

60.599

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with D385-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D385-0405?
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What is the minimum amount of D385-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D385-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D385-0405
  • 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 D385-0405 available by request