C336-0126 Screening compound: 2-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)ACETAMIDE

C336-0126 Screening compound: 2-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)ACETAMIDE
C336-0126 Screening compound: 2-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0126
2-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)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

C336-0126

Molecular Formula

C29H28N6O3S2 (C29 H28 N6 O3 S2)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(CC1N2C(SCC(N(CC3)CCN3c3ccccc3)=O)=Nc(cccc3)c3C2=NC1=O)NCc1cccs1

InChI

InChI=1S/C29H28N6O3S2/c36-25(30-18-21-9-6-16-39-21)17-24-28(38)32-27-22-10-4-5-11-23(22)31-29(35(24)27)40-19-26(37)34-14-12-33(13-15-34)20-7-2-1-3-8-20/h1-11,16,24H,12-15,17-19H2,(H,30,36)/t24-/m0/s1

InChI Key

XYZAMZFPOPBVMX-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.604

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-3.44

Polar Surface Area

80.294

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

C336-0126 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 C336-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0126?
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What is the minimum amount of C336-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0126
  • 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 C336-0126 available by request