D305-2912 Screening compound: ethyl 4-[(5-propanamido-1-propyl-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate

D305-2912 Screening compound: ethyl 4-[(5-propanamido-1-propyl-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate
D305-2912 Screening compound: ethyl 4-[(5-propanamido-1-propyl-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2912
ethyl 4-[(5-propanamido-1-propyl-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

D305-2912

Molecular Formula

C21H31N5O3 (C21 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c(ccc(NC(CC)=O)c2)c2nc1CN(CC1)CCN1C(OCC)=O

InChI

InChI=1S/C21H31N5O3/c1-4-9-26-18-8-7-16(22-20(27)5-2)14-17(18)23-19(26)15-24-10-12-25(13-11-24)21(28)29-6-3/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,22,27)

InChI Key

CUSDXIMQDBGKLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222725

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

2.805

Distribution Coefficient, logD

2.765

Water Solubility, LogSw

-3.22

Polar Surface Area

61.055

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

D305-2912 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D305-2912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2912?
Check Price and Availability of D305-2912, 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 D305-2912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2912
  • 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 D305-2912 available by request