D305-0995 Screening compound: 4-chloro-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide

D305-0995 Screening compound: 4-chloro-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide
D305-0995 Screening compound: 4-chloro-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0995
4-chloro-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide

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

D305-0995

Molecular Formula

C21H24ClN5O3S (C21 H24 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc(NC(c(cc2)ccc2Cl)=O)c2)c2nc1CN(CC1)CCN1S(C)(=O)=O

InChI

InChI=1S/C21H24ClN5O3S/c1-25-19-8-7-17(23-21(28)15-3-5-16(22)6-4-15)13-18(19)24-20(25)14-26-9-11-27(12-10-26)31(2,29)30/h3-8,13H,9-12,14H2,1-2H3,(H,23,28)

InChI Key

GPKMLXYFNUNHDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09164577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

2.246

Water Solubility, LogSw

-3.51

Polar Surface Area

70.331

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D305-0995 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D305-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0995?
Check Price and Availability of D305-0995, 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 D305-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0995
  • 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 D305-0995 available by request