C301-7791 Screening compound: 1-(3-chlorophenyl)-3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]urea

C301-7791 Screening compound: 1-(3-chlorophenyl)-3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]urea
C301-7791 Screening compound: 1-(3-chlorophenyl)-3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7791
1-(3-chlorophenyl)-3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]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

C301-7791

Molecular Formula

C20H22ClN5O2 (C20 H22 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(c(N1C)c2)cc(NC(Nc3cccc(Cl)c3)=O)c2N2CCCC2)C1=O

InChI

InChI=1S/C20H22ClN5O2/c1-24-17-11-15(23-19(27)22-14-7-5-6-13(21)10-14)16(26-8-3-4-9-26)12-18(17)25(2)20(24)28/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,22,23,27)

InChI Key

WLMGIZBPARFRBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.729

Distribution Coefficient, logD

4.710

Water Solubility, LogSw

-4.79

Polar Surface Area

53.046

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C301-7791 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with C301-7791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7791?
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What is the minimum amount of C301-7791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7791
  • 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 C301-7791 available by request