D305-0994 Screening compound: N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylbenzamide

D305-0994 Screening compound: N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylbenzamide
D305-0994 Screening compound: N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0994
N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylbenzamide

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

D305-0994

Molecular Formula

C22H27N5O3S (C22 H27 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(Nc(cc1)cc2c1n(C)c(CN(CC1)CCN1S(C)(=O)=O)n2)=O

InChI

InChI=1S/C22H27N5O3S/c1-16-6-4-5-7-18(16)22(28)23-17-8-9-20-19(14-17)24-21(25(20)2)15-26-10-12-27(13-11-26)31(3,29)30/h4-9,14H,10-13,15H2,1-3H3,(H,23,28)

InChI Key

URUVRGUHGJWJFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09164576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

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

1.889

Distribution Coefficient, logD

1.871

Water Solubility, LogSw

-3.00

Polar Surface Area

70.331

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with D305-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0994?
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What is the minimum amount of D305-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0994
  • 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 D305-0994 available by request