3466-0069 Screening compound: 1-(3-chlorophenyl)-4-[5-(4-nitrophenyl)furan-2-carbothioyl]piperazine

3466-0069 Screening compound: 1-(3-chlorophenyl)-4-[5-(4-nitrophenyl)furan-2-carbothioyl]piperazine
3466-0069 Screening compound: 1-(3-chlorophenyl)-4-[5-(4-nitrophenyl)furan-2-carbothioyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3466-0069
1-(3-chlorophenyl)-4-[5-(4-nitrophenyl)furan-2-carbothioyl]piperazine

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

3466-0069

Molecular Formula

C21H18ClN3O3S (C21 H18 ClN3 O3 S)

Compound Name

1-(3-chlorophenyl)-4-[5-(4-nitrophenyl)furan-2-carbothioyl]piperazine

IUPAC name

1-(3-chlorophenyl)-4-[5-(4-nitrophenyl)furan-2-carbothioyl]piperazine

SMILES

[O-][N+](c(cc1)ccc1-c1ccc(C(N(CC2)CCN2c2cccc(Cl)c2)=S)o1)=O

InChI

InChI=1S/C21H18ClN3O3S/c22-16-2-1-3-18(14-16)23-10-12-24(13-11-23)21(29)20-9-8-19(28-20)15-4-6-17(7-5-15)25(26)27/h1-9,14H,10-13H2

InChI Key

DQMUBRBHGWRZOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02355597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.678

Distribution Coefficient, logD

5.678

Water Solubility, LogSw

-6.12

Polar Surface Area

47.228

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3466-0069 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

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 3466-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3466-0069?
Check Price and Availability of 3466-0069, 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 3466-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3466-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3466-0069
  • 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 3466-0069 available by request