F067-0170 Screening compound: methyl 4-({7-[(2-methylpropyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl}sulfanyl)-3-oxobutanoate

F067-0170 Screening compound: methyl 4-({7-[(2-methylpropyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl}sulfanyl)-3-oxobutanoate
F067-0170 Screening compound: methyl 4-({7-[(2-methylpropyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl}sulfanyl)-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F067-0170
methyl 4-({7-[(2-methylpropyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl}sulfanyl)-3-oxobutanoate

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

F067-0170

Molecular Formula

C26H29N3O5S (C26 H29 N3 O5 S)

Compound Name

methyl 4-({7-[(2-methylpropyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl}sulfanyl)-3-oxobutanoate

IUPAC name

methyl 4-({7-[(2-methylpropyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-34-dihydroquinazolin-2-yl}sulfanyl)-3-oxobutanoate

SMILES

CC(C)CNC(c(cc1)cc(N=C(N2CCc3ccccc3)SCC(CC(OC)=O)=O)c1C2=O)=O

InChI

InChI=1S/C26H29N3O5S/c1-17(2)15-27-24(32)19-9-10-21-22(13-19)28-26(35-16-20(30)14-23(31)34-3)29(25(21)33)12-11-18-7-5-4-6-8-18/h4-10,13,17H,11-12,14-16H2,1-3H3,(H,27,32)

InChI Key

BOIFQCZCYLSIQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.58

Polar Surface Area

84.040

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

F067-0170 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F067-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F067-0170?
Check Price and Availability of F067-0170, 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 F067-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F067-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F067-0170
  • 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 F067-0170 available by request