D305-2837 Screening compound: ethyl 4-[(5-cyclohexaneamido-1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate

D305-2837 Screening compound: ethyl 4-[(5-cyclohexaneamido-1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate
D305-2837 Screening compound: ethyl 4-[(5-cyclohexaneamido-1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2837
ethyl 4-[(5-cyclohexaneamido-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

D305-2837

Molecular Formula

C23H33N5O3 (C23 H33 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N1CCN(Cc2nc(cc(cc3)NC(C4CCCCC4)=O)c3n2C)CC1)=O

InChI

InChI=1S/C23H33N5O3/c1-3-31-23(30)28-13-11-27(12-14-28)16-21-25-19-15-18(9-10-20(19)26(21)2)24-22(29)17-7-5-4-6-8-17/h9-10,15,17H,3-8,11-14,16H2,1-2H3,(H,24,29)

InChI Key

WWDLZYUEHWYAQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.934

Distribution Coefficient, logD

2.339

Water Solubility, LogSw

-3.20

Polar Surface Area

62.021

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

References: we are preparing a list of scientific research reports with D305-2837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2837?
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What is the minimum amount of D305-2837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2837
  • 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 D305-2837 available by request