4109-1988 Screening compound: N-benzyl-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

4109-1988 Screening compound: N-benzyl-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine
4109-1988 Screening compound: N-benzyl-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1988
N-benzyl-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

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

4109-1988

Molecular Formula

C27H28N4O2S (C27 H28 N4 O2 S)

Compound Name

N-benzyl-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

IUPAC name

N-benzyl-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

SMILES

Cc(ccc(-c(c1ccccc11)nnc1NCc1ccccc1)c1)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C27H28N4O2S/c1-20-14-15-22(18-25(20)34(32,33)31-16-8-3-9-17-31)26-23-12-6-7-13-24(23)27(30-29-26)28-19-21-10-4-2-5-11-21/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3,(H,28,30)

InChI Key

DFHGNCNEPWGAKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02240083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.044

Distribution Coefficient, logD

5.044

Water Solubility, LogSw

-4.85

Polar Surface Area

64.794

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

4109-1988 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4109-1988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1988?
Check Price and Availability of 4109-1988, 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 4109-1988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1988
  • 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 4109-1988 available by request