8012-7576 Screening compound: 5-{4-[(3-bromophenyl)amino]phthalazin-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide

8012-7576 Screening compound: 5-{4-[(3-bromophenyl)amino]phthalazin-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide
8012-7576 Screening compound: 5-{4-[(3-bromophenyl)amino]phthalazin-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7576
5-{4-[(3-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

8012-7576

Molecular Formula

C33H33BrN4O4S (C33 H33 BrN4 O4 S)

Compound Name

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

IUPAC name

5-{4-[(3-bromophenyl)amino]phthalazin-1-yl}-N-[2-(34-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide

SMILES

CCOc(ccc(CCNS(c1c(C)ccc(-c(c2ccccc22)nnc2Nc2cccc(Br)c2)c1)(=O)=O)c1)c1OCC

InChI

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

InChI Key

YYWPVSPCUBIRFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133479

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

7.035

Distribution Coefficient, logD

7.034

Water Solubility, LogSw

-6.05

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

8012-7576 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-7576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7576?
Check Price and Availability of 8012-7576, 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 8012-7576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7576
  • 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 8012-7576 available by request