C301-6546 Screening compound: N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4-diethoxybenzamide

C301-6546 Screening compound: N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4-diethoxybenzamide
C301-6546 Screening compound: N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6546
N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4-diethoxybenzamide

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

C301-6546

Molecular Formula

C26H34N4O4 (C26 H34 N4 O4)

Compound Name

N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4-diethoxybenzamide

IUPAC name

N-[13-diethyl-2-oxo-6-(pyrrolidin-1-yl)-23-dihydro-1H-13-benzodiazol-5-yl]-34-diethoxybenzamide

SMILES

CCN(c(cc(c(N1CCCC1)c1)NC(c(cc2)cc(OCC)c2OCC)=O)c1N1CC)C1=O

InChI

InChI=1S/C26H34N4O4/c1-5-29-21-16-19(20(28-13-9-10-14-28)17-22(21)30(6-2)26(29)32)27-25(31)18-11-12-23(33-7-3)24(15-18)34-8-4/h11-12,15-17H,5-10,13-14H2,1-4H3,(H,27,31)

InChI Key

YONVTCRSWZWHBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.600

Water Solubility, LogSw

-4.29

Polar Surface Area

58.173

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C301-6546 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-6546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6546?
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What is the minimum amount of C301-6546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6546
  • 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 C301-6546 available by request