8012-7577 Screening compound: 5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide

8012-7577 Screening compound: 5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide
8012-7577 Screening compound: 5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7577
5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-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

8012-7577

Molecular Formula

C33H33BrN4O4S (C33 H33 BrN4 O4 S)

Compound Name

5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide

IUPAC name

5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-N-[2-(34-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide

SMILES

CCOc(ccc(CCNS(c1c(C)ccc(-c(c2ccccc22)nnc2Nc(cc2)ccc2Br)c1)(=O)=O)c1)c1OCC

InChI

InChI=1S/C33H33BrN4O4S/c1-4-41-29-17-11-23(20-30(29)42-5-2)18-19-35-43(39,40)31-21-24(12-10-22(31)3)32-27-8-6-7-9-28(27)33(38-37-32)36-26-15-13-25(34)14-16-26/h6-17,20-21,35H,4-5,18-19H2,1-3H3,(H,36,38)

InChI Key

LODIBHDKOOBZRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

661.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.061

Distribution Coefficient, logD

7.060

Water Solubility, LogSw

-5.99

Polar Surface Area

87.781

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.20

References: we are preparing a list of scientific research reports with 8012-7577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7577?
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What is the minimum amount of 8012-7577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7577
  • 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 8012-7577 available by request