0180-0332 Screening compound: 2-chloro-3-({3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]phenyl}amino)-1,4-dihydronaphthalene-1,4-dione

0180-0332 Screening compound: 2-chloro-3-({3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]phenyl}amino)-1,4-dihydronaphthalene-1,4-dione
0180-0332 Screening compound: 2-chloro-3-({3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]phenyl}amino)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0332
2-chloro-3-({3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]phenyl}amino)-1,4-dihydronaphthalene-1,4-dione

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

0180-0332

Molecular Formula

C26H14Cl3NO3 (C26 H14 Cl3 NO3)

Compound Name

2-chloro-3-({3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]phenyl}amino)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-chloro-3-({3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]phenyl}amino)-14-dihydronaphthalene-14-dione

SMILES

O=C(c(cccc1)c1C1=O)C(Nc(cc2)cc(Cl)c2Oc(ccc2ccccc22)c2Cl)=C1Cl

InChI

InChI=1S/C26H14Cl3NO3/c27-19-13-15(30-24-23(29)25(31)17-7-3-4-8-18(17)26(24)32)10-12-20(19)33-21-11-9-14-5-1-2-6-16(14)22(21)28/h1-13,30H

InChI Key

UOKUFDJNDUFTJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00614338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.674

Distribution Coefficient, logD

7.507

Water Solubility, LogSw

-7.07

Polar Surface Area

42.213

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0180-0332 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0180-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0332?
Check Price and Availability of 0180-0332, 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 0180-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0332
  • 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 0180-0332 available by request