C301-9004 Screening compound: 1-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-(2-methoxyethyl)urea

C301-9004 Screening compound: 1-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-(2-methoxyethyl)urea
C301-9004 Screening compound: 1-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-(2-methoxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9004
1-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-(2-methoxyethyl)urea

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

C301-9004

Molecular Formula

C19H29N5O3 (C19 H29 N5 O3)

Compound Name

1-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-(2-methoxyethyl)urea

IUPAC name

1-[13-diethyl-2-oxo-6-(pyrrolidin-1-yl)-23-dihydro-1H-13-benzodiazol-5-yl]-3-(2-methoxyethyl)urea

SMILES

CCN(c(cc(c(N1CCCC1)c1)NC(NCCOC)=O)c1N1CC)C1=O

InChI

InChI=1S/C19H29N5O3/c1-4-23-16-12-14(21-18(25)20-8-11-27-3)15(22-9-6-7-10-22)13-17(16)24(5-2)19(23)26/h12-13H,4-11H2,1-3H3,(H2,20,21,25)

InChI Key

GAOCTCZPUFLYEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.952

Water Solubility, LogSw

-3.29

Polar Surface Area

62.741

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C301-9004 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-9004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9004?
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What is the minimum amount of C301-9004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9004
  • 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 C301-9004 available by request