3347-3418 Screening compound: 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one

3347-3418 Screening compound: 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
3347-3418 Screening compound: 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-3418
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-methoxyphenyl)-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

3347-3418

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(33-dimethyl-2-oxobutyl)sulfanyl]-3-(4-methoxyphenyl)-34-dihydroquinazolin-4-one

SMILES

CC(C)(C)C(CSC(N1c(cc2)ccc2OC)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C21H22N2O3S/c1-21(2,3)18(24)13-27-20-22-17-8-6-5-7-16(17)19(25)23(20)14-9-11-15(26-4)12-10-14/h5-12H,13H2,1-4H3

InChI Key

UAMVUZAAIZXCIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02725233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.685

Water Solubility, LogSw

-4.11

Polar Surface Area

46.222

Acid Dissociation Constant (pKa)

27.99

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3347-3418 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 3347-3418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-3418?
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What is the minimum amount of 3347-3418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-3418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-3418
  • 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 3347-3418 available by request