C301-7052 Screening compound: N-(1,3-dimethyl-2-oxo-6-piperidino-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-N'-(2-nitrophenyl)urea

C301-7052 Screening compound: N-(1,3-dimethyl-2-oxo-6-piperidino-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-N'-(2-nitrophenyl)urea
C301-7052 Screening compound: N-(1,3-dimethyl-2-oxo-6-piperidino-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-N'-(2-nitrophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7052
N-(1,3-dimethyl-2-oxo-6-piperidino-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-N'-(2-nitrophenyl)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

C301-7052

Molecular Formula

C21H24N6O4 (C21 H24 N6 O4)

Compound Name

N-(1,3-dimethyl-2-oxo-6-piperidino-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-N'-(2-nitrophenyl)urea

IUPAC name

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

SMILES

CN(c(c(N1C)c2)cc(NC(Nc(cccc3)c3[N+]([O-])=O)=O)c2N2CCCCC2)C1=O

InChI

InChI=1S/C21H24N6O4/c1-24-18-12-15(23-20(28)22-14-8-4-5-9-16(14)27(30)31)17(26-10-6-3-7-11-26)13-19(18)25(2)21(24)29/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H2,22,23,28)

InChI Key

KKBSXWXNMZMPBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.20

Polar Surface Area

85.063

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

C301-7052 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-7052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7052?
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What is the minimum amount of C301-7052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7052
  • 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 C301-7052 available by request