C301-6544 Screening compound: N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide

C301-6544 Screening compound: N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide
C301-6544 Screening compound: N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6544
N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide

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

C301-6544

Molecular Formula

C22H24F2N4O2 (C22 H24 F2 N4 O2)

Compound Name

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

IUPAC name

N-[13-diethyl-2-oxo-6-(pyrrolidin-1-yl)-23-dihydro-1H-13-benzodiazol-5-yl]-26-difluorobenzamide

SMILES

CCN(c(c(N1CC)c2)cc(NC(c(c(F)ccc3)c3F)=O)c2N2CCCC2)C1=O

InChI

InChI=1S/C22H24F2N4O2/c1-3-27-18-12-16(25-21(29)20-14(23)8-7-9-15(20)24)17(26-10-5-6-11-26)13-19(18)28(4-2)22(27)30/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,25,29)

InChI Key

NVTMUHZHODVALU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-4.70

Polar Surface Area

43.752

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C301-6544 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C301-6544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6544?
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What is the minimum amount of C301-6544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6544
  • 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 C301-6544 available by request