4903-2245 Screening compound: 4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine

4903-2245 Screening compound: 4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine
4903-2245 Screening compound: 4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2245
4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-N-[3-(trifluoromethyl)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

4903-2245

Molecular Formula

C27H25F3N4O2S (C27 H25 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc1cc(C(F)(F)F)ccc1)c1)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C27H25F3N4O2S/c1-18-12-13-19(16-24(18)37(35,36)34-14-5-2-6-15-34)25-22-10-3-4-11-23(22)26(33-32-25)31-21-9-7-8-20(17-21)27(28,29)30/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,31,33)

InChI Key

IJIBLYDMQIDFKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03294638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.58

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

6.517

Distribution Coefficient, logD

6.516

Water Solubility, LogSw

-6.04

Polar Surface Area

63.472

Acid Dissociation Constant (pKa)

17.80

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 4903-2245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2245?
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What is the minimum amount of 4903-2245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2245
  • 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 4903-2245 available by request