G859-0089 Screening compound: N,N-diethyl-3-(3-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G859-0089 Screening compound: N,N-diethyl-3-(3-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G859-0089 Screening compound: N,N-diethyl-3-(3-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G859-0089
N,N-diethyl-3-(3-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

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

G859-0089

Molecular Formula

C27H26FN3O2S (C27 H26 FN3 O2 S)

Compound Name

N,N-diethyl-3-(3-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

NN-diethyl-3-(3-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CCN(CC)C(c(cc1)cc(N=C(N2c3cc(F)ccc3)SCc3ccc(C)cc3)c1C2=O)=O

InChI

InChI=1S/C27H26FN3O2S/c1-4-30(5-2)25(32)20-13-14-23-24(15-20)29-27(34-17-19-11-9-18(3)10-12-19)31(26(23)33)22-8-6-7-21(28)16-22/h6-16H,4-5,17H2,1-3H3

InChI Key

HBUYALJSMCTBBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.197

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.26

Polar Surface Area

41.092

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with G859-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0089?
Check Price and Availability of G859-0089, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G859-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0089
  • 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 G859-0089 available by request