F413-0558 Screening compound: 3-cyclopentyl-2-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

F413-0558 Screening compound: 3-cyclopentyl-2-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one
F413-0558 Screening compound: 3-cyclopentyl-2-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0558
3-cyclopentyl-2-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]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

F413-0558

Molecular Formula

C27H29N3O5S (C27 H29 N3 O5 S)

Compound Name

3-cyclopentyl-2-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-cyclopentyl-2-({[5-methyl-2-(345-trimethoxyphenyl)-13-oxazol-4-yl]methyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

Cc1c(CSC(N2C3CCCC3)=Nc(cccc3)c3C2=O)nc(-c(cc2OC)cc(OC)c2OC)o1

InChI

InChI=1S/C27H29N3O5S/c1-16-21(28-25(35-16)17-13-22(32-2)24(34-4)23(14-17)33-3)15-36-27-29-20-12-8-7-11-19(20)26(31)30(27)18-9-5-6-10-18/h7-8,11-14,18H,5-6,9-10,15H2,1-4H3

InChI Key

GIIYMBTZJMJELX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.461

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.52

Polar Surface Area

66.459

Acid Dissociation Constant (pKa)

27.77

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with F413-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0558?
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What is the minimum amount of F413-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0558
  • 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 F413-0558 available by request