C336-0115 Screening compound: N~1~-(4-FLUOROBENZYL)-3-(2-OXO-5-{[2-OXO-2-(2-TOLUIDINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

C336-0115 Screening compound: N~1~-(4-FLUOROBENZYL)-3-(2-OXO-5-{[2-OXO-2-(2-TOLUIDINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE
C336-0115 Screening compound: N~1~-(4-FLUOROBENZYL)-3-(2-OXO-5-{[2-OXO-2-(2-TOLUIDINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0115
N~1~-(4-FLUOROBENZYL)-3-(2-OXO-5-{[2-OXO-2-(2-TOLUIDINO)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

C336-0115

Molecular Formula

C29H26FN5O3S (C29 H26 FN5 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

Cc(cccc1)c1NC(CSC(N1C2CCC(NCc(cc3)ccc3F)=O)=Nc(cccc3)c3C1=NC2=O)=O

InChI

InChI=1S/C29H26FN5O3S/c1-18-6-2-4-8-22(18)32-26(37)17-39-29-33-23-9-5-3-7-21(23)27-34-28(38)24(35(27)29)14-15-25(36)31-16-19-10-12-20(30)13-11-19/h2-13,24H,14-17H2,1H3,(H,31,36)(H,32,37)/t24-/m0/s1

InChI Key

YNCLSXUCJMKXTR-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-3.56

Polar Surface Area

82.075

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

C336-0115 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 C336-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0115?
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What is the minimum amount of C336-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0115
  • 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 C336-0115 available by request