D305-2952 Screening compound: ethyl 4-{[5-(2-chlorobenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate

D305-2952 Screening compound: ethyl 4-{[5-(2-chlorobenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate
D305-2952 Screening compound: ethyl 4-{[5-(2-chlorobenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2952
ethyl 4-{[5-(2-chlorobenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate

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

D305-2952

Molecular Formula

C25H30ClN5O3 (C25 H30 ClN5 O3)

Compound Name

ethyl 4-{[5-(2-chlorobenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{[5-(2-chlorobenzamido)-1-(propan-2-yl)-1H-13-benzodiazol-2-yl]methyl}piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc2nc(cc(cc3)NC(c(cccc4)c4Cl)=O)c3n2C(C)C)CC1)=O

InChI

InChI=1S/C25H30ClN5O3/c1-4-34-25(33)30-13-11-29(12-14-30)16-23-28-21-15-18(9-10-22(21)31(23)17(2)3)27-24(32)19-7-5-6-8-20(19)26/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,27,32)

InChI Key

XKHJNWNCHFRFLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

4.174

Water Solubility, LogSw

-4.39

Polar Surface Area

62.094

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D305-2952 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

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 D305-2952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2952?
Check Price and Availability of D305-2952, 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 D305-2952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2952
  • 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 D305-2952 available by request