D305-0999 Screening compound: N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide

D305-0999 Screening compound: N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide
D305-0999 Screening compound: N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0999
N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide

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

D305-0999

Molecular Formula

C21H24N6O5S (C21 H24 N6 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc(NC(c(cc2)ccc2[N+]([O-])=O)=O)c2)c2nc1CN(CC1)CCN1S(C)(=O)=O

InChI

InChI=1S/C21H24N6O5S/c1-24-19-8-5-16(22-21(28)15-3-6-17(7-4-15)27(29)30)13-18(19)23-20(24)14-25-9-11-26(12-10-25)33(2,31)32/h3-8,13H,9-12,14H2,1-2H3,(H,22,28)

InChI Key

PKQLZPDTAODZIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09164581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.596

Distribution Coefficient, logD

1.578

Water Solubility, LogSw

-2.71

Polar Surface Area

103.713

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D305-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0999?
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What is the minimum amount of D305-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0999
  • 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 D305-0999 available by request