A0061675 Screening compound: N-[2-(benzylsulfanyl)ethyl]-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0061675 Screening compound: N-[2-(benzylsulfanyl)ethyl]-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0061675 Screening compound: N-[2-(benzylsulfanyl)ethyl]-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061675
N-[2-(benzylsulfanyl)ethyl]-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-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

A0061675

Molecular Formula

C24H19ClFN3O2S2 (C24 H19 ClFN3 O2 S2)

Compound Name

N-[2-(benzylsulfanyl)ethyl]-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-[2-(benzylsulfanyl)ethyl]-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(NC(N2c(cc3)cc(Cl)c3F)=S)c1C2=O)NCCSCc1ccccc1

InChI

InChI=1S/C24H19ClFN3O2S2/c25-19-13-17(7-9-20(19)26)29-23(31)18-8-6-16(12-21(18)28-24(29)32)22(30)27-10-11-33-14-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,27,30)(H,28,32)

InChI Key

PYUGLKJSXMLVSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.538

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-4.68

Polar Surface Area

50.961

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

A0061675 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with A0061675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061675?
Check Price and Availability of A0061675, 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 A0061675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061675
  • 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 A0061675 available by request