C301-6075 Screening compound: 3-(2-chlorophenyl)-N-(1,3-dimethyl-6-morpholino-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-5-methyl-4-isoxazolecarboxamide

C301-6075 Screening compound: 3-(2-chlorophenyl)-N-(1,3-dimethyl-6-morpholino-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-5-methyl-4-isoxazolecarboxamide
C301-6075 Screening compound: 3-(2-chlorophenyl)-N-(1,3-dimethyl-6-morpholino-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-5-methyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6075
3-(2-chlorophenyl)-N-(1,3-dimethyl-6-morpholino-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-5-methyl-4-isoxazolecarboxamide

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

C301-6075

Molecular Formula

C24H24ClN5O4 (C24 H24 ClN5 O4)

Compound Name

3-(2-chlorophenyl)-N-(1,3-dimethyl-6-morpholino-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-5-methyl-4-isoxazolecarboxamide

IUPAC name

3-(2-chlorophenyl)-N-[13-dimethyl-6-(morpholin-4-yl)-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc(cc(c(N2C)c3)N(C)C2=O)c3N2CCOCC2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C24H24ClN5O4/c1-14-21(22(27-34-14)15-6-4-5-7-16(15)25)23(31)26-17-12-19-20(29(3)24(32)28(19)2)13-18(17)30-8-10-33-11-9-30/h4-7,12-13H,8-11H2,1-3H3,(H,26,31)

InChI Key

VWDDAFXBRUBKPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.550

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-4.18

Polar Surface Area

73.337

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

C301-6075 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-6075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6075?
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What is the minimum amount of C301-6075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6075
  • 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 C301-6075 available by request