D305-2834 Screening compound: ethyl 4-[(1-methyl-5-pentanamido-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate

D305-2834 Screening compound: ethyl 4-[(1-methyl-5-pentanamido-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate
D305-2834 Screening compound: ethyl 4-[(1-methyl-5-pentanamido-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2834
ethyl 4-[(1-methyl-5-pentanamido-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

D305-2834

Molecular Formula

C21H31N5O3 (C21 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(Nc(cc1)cc2c1n(C)c(CN(CC1)CCN1C(OCC)=O)n2)=O

InChI

InChI=1S/C21H31N5O3/c1-4-6-7-20(27)22-16-8-9-18-17(14-16)23-19(24(18)3)15-25-10-12-26(13-11-25)21(28)29-5-2/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,22,27)

InChI Key

NHZUNYXEWYQJOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.519

Distribution Coefficient, logD

1.925

Water Solubility, LogSw

-3.01

Polar Surface Area

61.887

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

D305-2834 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 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 D305-2834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2834?
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What is the minimum amount of D305-2834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2834
  • 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 D305-2834 available by request