5395-2127 Screening compound: 2-[4-(2-bromobenzoyl)piperazin-1-yl]-3-chloro-1,4-dihydronaphthalene-1,4-dione

5395-2127 Screening compound: 2-[4-(2-bromobenzoyl)piperazin-1-yl]-3-chloro-1,4-dihydronaphthalene-1,4-dione
5395-2127 Screening compound: 2-[4-(2-bromobenzoyl)piperazin-1-yl]-3-chloro-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5395-2127
2-[4-(2-bromobenzoyl)piperazin-1-yl]-3-chloro-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

5395-2127

Molecular Formula

C21H16BrClN2O3 (C21 H16 BrClN2 O3)

Compound Name

2-[4-(2-bromobenzoyl)piperazin-1-yl]-3-chloro-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-[4-(2-bromobenzoyl)piperazin-1-yl]-3-chloro-14-dihydronaphthalene-14-dione

SMILES

O=C(c(cccc1)c1Br)N(CC1)CCN1C(C(c(cccc1)c1C1=O)=O)=C1Cl

InChI

InChI=1S/C21H16BrClN2O3/c22-16-8-4-3-7-15(16)21(28)25-11-9-24(10-12-25)18-17(23)19(26)13-5-1-2-6-14(13)20(18)27/h1-8H,9-12H2

InChI Key

ULDAKXVLBCNQND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03306449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.42

Polar Surface Area

46.279

Acid Dissociation Constant (pKa)

28.88

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

5395-2127 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5395-2127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5395-2127?
Check Price and Availability of 5395-2127, 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 5395-2127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5395-2127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5395-2127
  • 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 5395-2127 available by request