C301-5013 Screening compound: 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H,4H-chromeno[3,4-d]imidazol-4-one

C301-5013 Screening compound: 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H,4H-chromeno[3,4-d]imidazol-4-one
C301-5013 Screening compound: 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H,4H-chromeno[3,4-d]imidazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5013
8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H,4H-chromeno[3,4-d]imidazol-4-one

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

C301-5013

Molecular Formula

C23H23ClN4O4S (C23 H23 ClN4 O4 S)

Compound Name

8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H,4H-chromeno[3,4-d]imidazol-4-one

IUPAC name

8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H4H-chromeno[34-d]imidazol-4-one

SMILES

CCn1c(-c(cc(cc2)S(N(CC3)CCN3c3c(C)ccc(Cl)c3)(=O)=O)c2OC2=O)c2nc1

InChI

InChI=1S/C23H23ClN4O4S/c1-3-26-14-25-21-22(26)18-13-17(6-7-20(18)32-23(21)29)33(30,31)28-10-8-27(9-11-28)19-12-16(24)5-4-15(19)2/h4-7,12-14H,3,8-11H2,1-2H3

InChI Key

JAAOFVYYQWEBIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.18

Polar Surface Area

66.753

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C301-5013 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C301-5013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5013?
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What is the minimum amount of C301-5013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5013
  • 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 C301-5013 available by request