C301-6013 Screening compound: 2-bromo-N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5-methoxybenzamide

C301-6013 Screening compound: 2-bromo-N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5-methoxybenzamide
C301-6013 Screening compound: 2-bromo-N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6013
2-bromo-N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5-methoxybenzamide

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

C301-6013

Molecular Formula

C21H23BrN4O4 (C21 H23 BrN4 O4)

Compound Name

2-bromo-N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5-methoxybenzamide

IUPAC name

2-bromo-N-[13-dimethyl-6-(morpholin-4-yl)-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-5-methoxybenzamide

SMILES

CN(c(c(N1C)c2)cc(NC(c(cc(cc3)OC)c3Br)=O)c2N2CCOCC2)C1=O

InChI

InChI=1S/C21H23BrN4O4/c1-24-18-11-16(23-20(27)14-10-13(29-3)4-5-15(14)22)17(26-6-8-30-9-7-26)12-19(18)25(2)21(24)28/h4-5,10-12H,6-9H2,1-3H3,(H,23,27)

InChI Key

NFMUWHGBDIPISU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-3.68

Polar Surface Area

58.920

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-6013 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-6013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6013?
Check Price and Availability of C301-6013, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C301-6013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6013
  • 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 C301-6013 available by request