D305-1002 Screening compound: 4-tert-butyl-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide

D305-1002 Screening compound: 4-tert-butyl-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide
D305-1002 Screening compound: 4-tert-butyl-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 D305-1002
4-tert-butyl-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

D305-1002

Molecular Formula

C25H33N5O3S (C25 H33 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)cc2c1n(C)c(CN(CC1)CCN1S(C)(=O)=O)n2)=O

InChI

InChI=1S/C25H33N5O3S/c1-25(2,3)19-8-6-18(7-9-19)24(31)26-20-10-11-22-21(16-20)27-23(28(22)4)17-29-12-14-30(15-13-29)34(5,32)33/h6-11,16H,12-15,17H2,1-5H3,(H,26,31)

InChI Key

GFFBKLDHBRRXLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09164584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

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

3.465

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-3.71

Polar Surface Area

70.331

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D305-1002 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D305-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1002?
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What is the minimum amount of D305-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1002
  • 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 D305-1002 available by request