D305-2955 Screening compound: ethyl 4-{[5-(4-nitrobenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate

D305-2955 Screening compound: ethyl 4-{[5-(4-nitrobenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate
D305-2955 Screening compound: ethyl 4-{[5-(4-nitrobenzamido)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2955
ethyl 4-{[5-(4-nitrobenzamido)-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

D305-2955

Molecular Formula

C25H30N6O5 (C25 H30 N6 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N1CCN(Cc2nc(cc(cc3)NC(c(cc4)ccc4[N+]([O-])=O)=O)c3n2C(C)C)CC1)=O

InChI

InChI=1S/C25H30N6O5/c1-4-36-25(33)29-13-11-28(12-14-29)16-23-27-21-15-19(7-10-22(21)30(23)17(2)3)26-24(32)18-5-8-20(9-6-18)31(34)35/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,26,32)

InChI Key

PFQNNDXRNQLCHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-3.85

Polar Surface Area

95.476

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D305-2955 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 D305-2955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2955?
Check Price and Availability of D305-2955, 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 D305-2955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2955
  • 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 D305-2955 available by request