D305-2831 Screening compound: ethyl 4-[(5-acetamido-1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate

D305-2831 Screening compound: ethyl 4-[(5-acetamido-1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate
D305-2831 Screening compound: ethyl 4-[(5-acetamido-1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2831
ethyl 4-[(5-acetamido-1-methyl-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

D305-2831

Molecular Formula

C18H25N5O3 (C18 H25 N5 O3)

Compound Name

ethyl 4-[(5-acetamido-1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(5-acetamido-1-methyl-1H-13-benzodiazol-2-yl)methyl]piperazine-1-carboxylate

SMILES

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

InChI

InChI=1S/C18H25N5O3/c1-4-26-18(25)23-9-7-22(8-10-23)12-17-20-15-11-14(19-13(2)24)5-6-16(15)21(17)3/h5-6,11H,4,7-10,12H2,1-3H3,(H,19,24)

InChI Key

GUDJEDOWGRJMDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.200

Distribution Coefficient, logD

0.606

Water Solubility, LogSw

-2.23

Polar Surface Area

61.999

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D305-2831 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D305-2831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2831?
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What is the minimum amount of D305-2831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2831
  • 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 D305-2831 available by request