F413-0490 Screening compound: 2-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-4-one

F413-0490 Screening compound: 2-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-4-one
F413-0490 Screening compound: 2-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0490
2-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-3-yl)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

F413-0490

Molecular Formula

C28H26N4O5S (C28 H26 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2Cc3cnccc3)=Nc(cccc3)c3C2=O)nc(-c(cc2OC)cc(OC)c2OC)o1

InChI

InChI=1S/C28H26N4O5S/c1-17-22(30-26(37-17)19-12-23(34-2)25(36-4)24(13-19)35-3)16-38-28-31-21-10-6-5-9-20(21)27(33)32(28)15-18-8-7-11-29-14-18/h5-14H,15-16H2,1-4H3

InChI Key

KYCVTABCXBGBGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-3.80

Polar Surface Area

76.389

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with F413-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0490?
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What is the minimum amount of F413-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0490
  • 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 F413-0490 available by request