4109-1974 Screening compound: 5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-tert-butyl-2-methylbenzene-1-sulfonamide

4109-1974 Screening compound: 5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-tert-butyl-2-methylbenzene-1-sulfonamide
4109-1974 Screening compound: 5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-tert-butyl-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1974
5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-tert-butyl-2-methylbenzene-1-sulfonamide

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

4109-1974

Molecular Formula

C25H25BrN4O2S (C25 H25 BrN4 O2 S)

Compound Name

5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-tert-butyl-2-methylbenzene-1-sulfonamide

IUPAC name

5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-tert-butyl-2-methylbenzene-1-sulfonamide

SMILES

CC(C)(C)NS(c1c(C)ccc(-c(c2ccccc22)nnc2Nc(cc2)ccc2Br)c1)(=O)=O

InChI

InChI=1S/C25H25BrN4O2S/c1-16-9-10-17(15-22(16)33(31,32)30-25(2,3)4)23-20-7-5-6-8-21(20)24(29-28-23)27-19-13-11-18(26)12-14-19/h5-15,30H,1-4H3,(H,27,29)

InChI Key

GMDQWKQGZJLCFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02235863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.205

Distribution Coefficient, logD

6.204

Water Solubility, LogSw

-5.85

Polar Surface Area

72.828

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4109-1974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1974?
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What is the minimum amount of 4109-1974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1974
  • 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 4109-1974 available by request