C301-8236 Screening compound: methyl 3-[(6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]-5-nitrobenzoate

C301-8236 Screening compound: methyl 3-[(6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]-5-nitrobenzoate
C301-8236 Screening compound: methyl 3-[(6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8236
methyl 3-[(6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]-5-nitrobenzoate

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

C301-8236

Molecular Formula

C17H14N4O6 (C17 H14 N4 O6)

Compound Name

methyl 3-[(6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]-5-nitrobenzoate

IUPAC name

methyl 3-[(6-methyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)carbamoyl]-5-nitrobenzoate

SMILES

Cc(cc(c(N1)c2)NC1=O)c2NC(c1cc([N+]([O-])=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C17H14N4O6/c1-8-3-13-14(20-17(24)19-13)7-12(8)18-15(22)9-4-10(16(23)27-2)6-11(5-9)21(25)26/h3-7H,1-2H3,(H,18,22)(H2,19,20,24)

InChI Key

LTBNNIYHXFAYOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-2.76

Polar Surface Area

112.914

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C301-8236 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 C301-8236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8236?
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What is the minimum amount of C301-8236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8236
  • 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 C301-8236 available by request