C336-0022 Screening compound: N~1~-(3,4-DIMETHOXYPHENETHYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE

C336-0022 Screening compound: N~1~-(3,4-DIMETHOXYPHENETHYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE
C336-0022 Screening compound: N~1~-(3,4-DIMETHOXYPHENETHYL)-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 C336-0022
N~1~-(3,4-DIMETHOXYPHENETHYL)-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

C336-0022

Molecular Formula

C28H26N4O4S (C28 H26 N4 O4 S)

Compound Name

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

IUPAC name

n/a

SMILES

COc(ccc(CCNC(CSC(N1C2c3ccccc3)=Nc(cccc3)c3C1=NC2=O)=O)c1)c1OC

InChI

InChI=1S/C28H26N4O4S/c1-35-22-13-12-18(16-23(22)36-2)14-15-29-24(33)17-37-28-30-21-11-7-6-10-20(21)26-31-27(34)25(32(26)28)19-8-4-3-5-9-19/h3-13,16,25H,14-15,17H2,1-2H3,(H,29,33)/t25-/m1/s1

InChI Key

KHXVSBWMPPSUEK-RUZDIDTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-3.48

Polar Surface Area

74.773

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

C336-0022 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C336-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0022?
Check Price and Availability of C336-0022, 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 C336-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0022
  • 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 C336-0022 available by request