F067-0581 Screening compound: 2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide

F067-0581 Screening compound: 2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
F067-0581 Screening compound: 2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F067-0581
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-propyl-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

F067-0581

Molecular Formula

C26H31N3O3S (C26 H31 N3 O3 S)

Compound Name

2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[2-(25-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-propyl-34-dihydroquinazoline-7-carboxamide

SMILES

CCCNC(c(cc1)cc(N=C(N2CC(C)C)SCC(c3c(C)ccc(C)c3)=O)c1C2=O)=O

InChI

InChI=1S/C26H31N3O3S/c1-6-11-27-24(31)19-9-10-20-22(13-19)28-26(29(25(20)32)14-16(2)3)33-15-23(30)21-12-17(4)7-8-18(21)5/h7-10,12-13,16H,6,11,14-15H2,1-5H3,(H,27,31)

InChI Key

KVXANDWGXUUSMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.968

Distribution Coefficient, logD

4.968

Water Solubility, LogSw

-4.52

Polar Surface Area

63.816

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with F067-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F067-0581?
Check Price and Availability of F067-0581, 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 F067-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F067-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F067-0581
  • 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 F067-0581 available by request