C336-0095 Screening compound: N~1~-BUTYL-3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

C336-0095 Screening compound: N~1~-BUTYL-3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE
C336-0095 Screening compound: N~1~-BUTYL-3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0095
N~1~-BUTYL-3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-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

C336-0095

Molecular Formula

C26H28ClN5O4S (C26 H28 ClN5 O4 S)

Compound Name

N~1~-BUTYL-3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

IUPAC name

n/a

SMILES

CCCCNC(CCC1N2C(SCC(Nc(cc3)cc(Cl)c3OC)=O)=Nc(cccc3)c3C2=NC1=O)=O

InChI

InChI=1S/C26H28ClN5O4S/c1-3-4-13-28-22(33)12-10-20-25(35)31-24-17-7-5-6-8-19(17)30-26(32(20)24)37-15-23(34)29-16-9-11-21(36-2)18(27)14-16/h5-9,11,14,20H,3-4,10,12-13,15H2,1-2H3,(H,28,33)(H,29,34)/t20-/m0/s1

InChI Key

DVAWJOUOUOCHBW-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.06

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.75

Polar Surface Area

90.516

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

C336-0095 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C336-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0095?
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What is the minimum amount of C336-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0095
  • 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 C336-0095 available by request