D305-2954 Screening compound: ethyl 4-{[5-(2-methoxybenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate

D305-2954 Screening compound: ethyl 4-{[5-(2-methoxybenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate
D305-2954 Screening compound: ethyl 4-{[5-(2-methoxybenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2954
ethyl 4-{[5-(2-methoxybenzamido)-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

D305-2954

Molecular Formula

C26H33N5O4 (C26 H33 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N1CCN(Cc2nc(cc(cc3)NC(c(cccc4)c4OC)=O)c3n2C(C)C)CC1)=O

InChI

InChI=1S/C26H33N5O4/c1-5-35-26(33)30-14-12-29(13-15-30)17-24-28-21-16-19(10-11-22(21)31(24)18(2)3)27-25(32)20-8-6-7-9-23(20)34-4/h6-11,16,18H,5,12-15,17H2,1-4H3,(H,27,32)

InChI Key

JYEBVPOXOUXVOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222907

Chemical and Physical Properties

Saltdata

2HBr

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.70

Polar Surface Area

69.725

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

D305-2954 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 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 D305-2954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2954?
Check Price and Availability of D305-2954, 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 D305-2954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2954
  • 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 D305-2954 available by request