C336-0198 Screening compound: N~1~-(4-ETHYLPHENYL)-2-({2-OXO-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)BUTANAMIDE

C336-0198 Screening compound: N~1~-(4-ETHYLPHENYL)-2-({2-OXO-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)BUTANAMIDE
C336-0198 Screening compound: N~1~-(4-ETHYLPHENYL)-2-({2-OXO-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0198
N~1~-(4-ETHYLPHENYL)-2-({2-OXO-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)BUTANAMIDE

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

C336-0198

Molecular Formula

C35H38N6O3S (C35 H38 N6 O3 S)

Compound Name

N~1~-(4-ETHYLPHENYL)-2-({2-OXO-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)BUTANAMIDE

IUPAC name

n/a

SMILES

CCC(C(Nc1ccc(CC)cc1)=O)SC(N1C2CCC(N(CC3)CCN3c3ccccc3)=O)=Nc(cccc3)c3C1=NC2=O

InChI

InChI=1S/C35H38N6O3S/c1-3-24-14-16-25(17-15-24)36-34(44)30(4-2)45-35-37-28-13-9-8-12-27(28)32-38-33(43)29(41(32)35)18-19-31(42)40-22-20-39(21-23-40)26-10-6-5-7-11-26/h5-17,29-30H,3-4,18-23H2,1-2H3,(H,36,44)

InChI Key

LJRRALDQTKZQGD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

5.101

Water Solubility, LogSw

-4.90

Polar Surface Area

78.167

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.30

C336-0198 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C336-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0198?
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What is the minimum amount of C336-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0198
  • 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 C336-0198 available by request