Y502-2698 Screening compound: 4-bromo-5-ethyl-N-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]-2-thiophenecarboxamide

Y502-2698 Screening compound: 4-bromo-5-ethyl-N-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]-2-thiophenecarboxamide
Y502-2698 Screening compound: 4-bromo-5-ethyl-N-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-2698
4-bromo-5-ethyl-N-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]-2-thiophenecarboxamide

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

Y502-2698

Molecular Formula

C15H12BrN3O2S2 (C15 H12 BrN3 O2 S2)

Compound Name

4-bromo-5-ethyl-N-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]-2-thiophenecarboxamide

IUPAC name

4-bromo-5-ethyl-N-(4-oxo-2-sulfanyl-34-dihydroquinazolin-3-yl)thiophene-2-carboxamide

SMILES

CCc(sc(C(NN1C(S)=Nc(cccc2)c2C1=O)=O)c1)c1Br

InChI

InChI=1S/C15H12BrN3O2S2/c1-2-11-9(16)7-12(23-11)13(20)18-19-14(21)8-5-3-4-6-10(8)17-15(19)22/h3-7H,2H2,1H3,(H,17,22)(H,18,20)

InChI Key

UVSOXWODNGZXTA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.843

Distribution Coefficient, logD

-2.355

Water Solubility, LogSw

-3.67

Polar Surface Area

52.968

Acid Dissociation Constant (pKa)

2.20

Base Dissociation Constant (pKb)

-7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y502-2698 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y502-2698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-2698?
Check Price and Availability of Y502-2698, 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 Y502-2698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-2698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-2698
  • 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 Y502-2698 available by request