C301-6090 Screening compound: N-(1,3-dimethyl-6-morpholino-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-4-propoxybenzamide

C301-6090 Screening compound: N-(1,3-dimethyl-6-morpholino-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-4-propoxybenzamide
C301-6090 Screening compound: N-(1,3-dimethyl-6-morpholino-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6090
N-(1,3-dimethyl-6-morpholino-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-4-propoxybenzamide

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

C301-6090

Molecular Formula

C23H28N4O4 (C23 H28 N4 O4)

Compound Name

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

IUPAC name

N-[13-dimethyl-6-(morpholin-4-yl)-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-4-propoxybenzamide

SMILES

CCCOc(cc1)ccc1C(Nc(c(N1CCOCC1)c1)cc(N2C)c1N(C)C2=O)=O

InChI

InChI=1S/C23H28N4O4/c1-4-11-31-17-7-5-16(6-8-17)22(28)24-18-14-20-21(26(3)23(29)25(20)2)15-19(18)27-9-12-30-13-10-27/h5-8,14-15H,4,9-13H2,1-3H3,(H,24,28)

InChI Key

QAKOSRWGADQBIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.678

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.90

Polar Surface Area

58.794

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

C301-6090 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C301-6090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6090?
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What is the minimum amount of C301-6090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6090
  • 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 C301-6090 available by request