8018-3765 Screening compound: 3-benzyl-2-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

8018-3765 Screening compound: 3-benzyl-2-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one
8018-3765 Screening compound: 3-benzyl-2-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3765
3-benzyl-2-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-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

8018-3765

Molecular Formula

C27H28N2O2S (C27 H28 N2 O2 S)

Compound Name

3-benzyl-2-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-benzyl-2-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

CC(C)c1cc(CSC(N2Cc3ccccc3)=Nc(cccc3)c3C2=O)c(C)cc1OC

InChI

InChI=1S/C27H28N2O2S/c1-18(2)23-15-21(19(3)14-25(23)31-4)17-32-27-28-24-13-9-8-12-22(24)26(30)29(27)16-20-10-6-5-7-11-20/h5-15,18H,16-17H2,1-4H3

InChI Key

JCZCIEOAGQDLQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.383

Distribution Coefficient, logD

6.383

Water Solubility, LogSw

-5.54

Polar Surface Area

33.401

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

8018-3765 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-3765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3765?
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What is the minimum amount of 8018-3765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3765
  • 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 8018-3765 available by request