Y502-0773 Screening compound: 4-(2-chloro-6-fluorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione

Y502-0773 Screening compound: 4-(2-chloro-6-fluorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
Y502-0773 Screening compound: 4-(2-chloro-6-fluorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-0773
4-(2-chloro-6-fluorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione

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

Y502-0773

Molecular Formula

C18H14ClFN2S (C18 H14 ClFN2 S)

Compound Name

4-(2-chloro-6-fluorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione

IUPAC name

4-(2-chloro-6-fluorophenyl)-1H2H3H4H5H6H-benzo[h]quinazoline-2-thione

SMILES

Fc1cccc(Cl)c1C(C(CCc1c2cccc1)=C2N1)NC1=S

InChI

InChI=1S/C18H14ClFN2S/c19-13-6-3-7-14(20)15(13)17-12-9-8-10-4-1-2-5-11(10)16(12)21-18(23)22-17/h1-7,17H,8-9H2,(H2,21,22,23)/t17-/m0/s1

InChI Key

OHFUGXXBNSPDOQ-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.84

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.379

Distribution Coefficient, logD

4.379

Water Solubility, LogSw

-4.65

Polar Surface Area

22.880

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-6.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

Y502-0773 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y502-0773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-0773?
Check Price and Availability of Y502-0773, 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 Y502-0773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-0773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-0773
  • 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 Y502-0773 available by request