C336-0141 Screening compound: 2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-METHYLPHENYL)ACETAMIDE

C336-0141 Screening compound: 2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-METHYLPHENYL)ACETAMIDE
C336-0141 Screening compound: 2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-METHYLPHENYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0141
2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-METHYLPHENYL)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

C336-0141

Molecular Formula

C25H27N5O3S (C25 H27 N5 O3 S)

Compound Name

2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-METHYLPHENYL)ACETAMIDE

IUPAC name

n/a

SMILES

CCCCNC(CC1N2C(SCC(Nc3c(C)cccc3)=O)=Nc(cccc3)c3C2=NC1=O)=O

InChI

InChI=1S/C25H27N5O3S/c1-3-4-13-26-21(31)14-20-24(33)29-23-17-10-6-8-12-19(17)28-25(30(20)23)34-15-22(32)27-18-11-7-5-9-16(18)2/h5-12,20H,3-4,13-15H2,1-2H3,(H,26,31)(H,27,32)/t20-/m0/s1

InChI Key

MOECTSGLHRVLFB-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.59

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

2.180

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-2.92

Polar Surface Area

82.188

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C336-0141 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 C336-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0141?
Check Price and Availability of C336-0141, 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 C336-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0141
  • 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 C336-0141 available by request