C336-0104 Screening compound: N~1~-BENZYL-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

C336-0104 Screening compound: N~1~-BENZYL-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE
C336-0104 Screening compound: N~1~-BENZYL-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0104
N~1~-BENZYL-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

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

C336-0104

Molecular Formula

C32H32N6O3S (C32 H32 N6 O3 S)

Compound Name

N~1~-BENZYL-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

IUPAC name

n/a

SMILES

O=C(CCC1N2C(SCC(N(CC3)CCN3c3ccccc3)=O)=Nc(cccc3)c3C2=NC1=O)NCc1ccccc1

InChI

InChI=1S/C32H32N6O3S/c39-28(33-21-23-9-3-1-4-10-23)16-15-27-31(41)35-30-25-13-7-8-14-26(25)34-32(38(27)30)42-22-29(40)37-19-17-36(18-20-37)24-11-5-2-6-12-24/h1-14,27H,15-22H2,(H,33,39)/t27-/m0/s1

InChI Key

RFCHJGOQBQXEPH-MHZLTWQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.966

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-3.69

Polar Surface Area

79.276

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

C336-0104 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C336-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0104?
Check Price and Availability of C336-0104, 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 C336-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0104
  • 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 C336-0104 available by request