C336-0113 Screening compound: N~1~-(4-FLUOROBENZYL)-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

C336-0113 Screening compound: N~1~-(4-FLUOROBENZYL)-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE
C336-0113 Screening compound: N~1~-(4-FLUOROBENZYL)-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 C336-0113
N~1~-(4-FLUOROBENZYL)-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

C336-0113

Molecular Formula

C32H31FN6O3S (C32 H31 FN6 O3 S)

Compound Name

N~1~-(4-FLUOROBENZYL)-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)NCc(cc1)ccc1F

InChI

InChI=1S/C32H31FN6O3S/c33-23-12-10-22(11-13-23)20-34-28(40)15-14-27-31(42)36-30-25-8-4-5-9-26(25)35-32(39(27)30)43-21-29(41)38-18-16-37(17-19-38)24-6-2-1-3-7-24/h1-13,27H,14-21H2,(H,34,40)/t27-/m0/s1

InChI Key

ORLNBVAIRTUDCS-MHZLTWQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.7

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

2.996

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.70

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

C336-0113 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 C336-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0113?
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What is the minimum amount of C336-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0113
  • 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 C336-0113 available by request