C301-7072 Screening compound: 3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-(4-methoxyphenyl)urea

C301-7072 Screening compound: 3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-(4-methoxyphenyl)urea
C301-7072 Screening compound: 3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-(4-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7072
3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-(4-methoxyphenyl)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

C301-7072

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-(4-methoxyphenyl)urea

IUPAC name

3-[13-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-23-dihydro-1H-13-benzodiazol-5-yl]-1-(4-methoxyphenyl)urea

SMILES

CN(c(cc(c(N1CCCC1)c1)NC(Nc(cc2)ccc2OC)=O)c1N1C)C1=O

InChI

InChI=1S/C21H25N5O3/c1-24-18-12-16(23-20(27)22-14-6-8-15(29-3)9-7-14)17(26-10-4-5-11-26)13-19(18)25(2)21(24)28/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,22,23,27)

InChI Key

MTMMWJLUNONQMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.958

Distribution Coefficient, logD

3.955

Water Solubility, LogSw

-4.14

Polar Surface Area

60.590

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-7072 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C301-7072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7072?
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What is the minimum amount of C301-7072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7072
  • 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 C301-7072 available by request