D305-1020 Screening compound: N-{1-ethyl-2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D305-1020 Screening compound: N-{1-ethyl-2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D305-1020 Screening compound: N-{1-ethyl-2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-1020
N-{1-ethyl-2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

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

D305-1020

Molecular Formula

C22H33N5O3S (C22 H33 N5 O3 S)

Compound Name

N-{1-ethyl-2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

IUPAC name

N-{1-ethyl-2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1H-13-benzodiazol-5-yl}cyclohexanecarboxamide

SMILES

CCn1c(ccc(NC(C2CCCCC2)=O)c2)c2nc1CN(CC1)CCN1S(C)(=O)=O

InChI

InChI=1S/C22H33N5O3S/c1-3-27-20-10-9-18(23-22(28)17-7-5-4-6-8-17)15-19(20)24-21(27)16-25-11-13-26(14-12-25)31(2,29)30/h9-10,15,17H,3-8,11-14,16H2,1-2H3,(H,23,28)

InChI Key

OCRQRRZTXAXRJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14279848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.413

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-2.95

Polar Surface Area

69.438

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

D305-1020 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D305-1020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1020?
Check Price and Availability of D305-1020, 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 D305-1020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1020
  • 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 D305-1020 available by request