C336-0058 Screening compound: N~1~-(4-BROMO-2-FLUOROPHENYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE

C336-0058 Screening compound: N~1~-(4-BROMO-2-FLUOROPHENYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE
C336-0058 Screening compound: N~1~-(4-BROMO-2-FLUOROPHENYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0058
N~1~-(4-BROMO-2-FLUOROPHENYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE

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

C336-0058

Molecular Formula

C24H16BrFN4O2S (C24 H16 BrFN4 O2 S)

Compound Name

N~1~-(4-BROMO-2-FLUOROPHENYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CSC(N1C2c3ccccc3)=Nc(cccc3)c3C1=NC2=O)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C24H16BrFN4O2S/c25-15-10-11-19(17(26)12-15)27-20(31)13-33-24-28-18-9-5-4-8-16(18)22-29-23(32)21(30(22)24)14-6-2-1-3-7-14/h1-12,21H,13H2,(H,27,31)/t21-/m1/s1

InChI Key

DLFZLCYJENEUBG-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.398

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-4.43

Polar Surface Area

57.651

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

C336-0058 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C336-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0058?
Check Price and Availability of C336-0058, 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 C336-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0058
  • 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 C336-0058 available by request