C336-0138 Screening compound: 2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-CHLOROBENZYL)ACETAMIDE

C336-0138 Screening compound: 2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-CHLOROBENZYL)ACETAMIDE
C336-0138 Screening compound: 2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-CHLOROBENZYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0138
2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-CHLOROBENZYL)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

C336-0138

Molecular Formula

C25H26ClN5O3S (C25 H26 ClN5 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-CHLOROBENZYL)ACETAMIDE

IUPAC name

n/a

SMILES

CCCCNC(CC1N2C(SCC(NCc(cccc3)c3Cl)=O)=Nc(cccc3)c3C2=NC1=O)=O

InChI

InChI=1S/C25H26ClN5O3S/c1-2-3-12-27-21(32)13-20-24(34)30-23-17-9-5-7-11-19(17)29-25(31(20)23)35-15-22(33)28-14-16-8-4-6-10-18(16)26/h4-11,20H,2-3,12-15H2,1H3,(H,27,32)(H,28,33)/t20-/m0/s1

InChI Key

WBIDCPCWAIXVEK-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.848

Distribution Coefficient, logD

2.847

Water Solubility, LogSw

-3.68

Polar Surface Area

84.208

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C336-0138 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C336-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0138?
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What is the minimum amount of C336-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0138
  • 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 C336-0138 available by request