6434-3661 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethan-1-one

6434-3661 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethan-1-one
6434-3661 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6434-3661
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethan-1-one

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

6434-3661

Molecular Formula

C27H23N5OS2 (C27 H23 N5 OS2)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethan-1-one

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethan-1-one

SMILES

O=C(CSc1nc(cccc2)c2s1)N(CC1)CCN1c1nnc(-c2ccccc2)c2ccccc12

InChI

InChI=1S/C27H23N5OS2/c33-24(18-34-27-28-22-12-6-7-13-23(22)35-27)31-14-16-32(17-15-31)26-21-11-5-4-10-20(21)25(29-30-26)19-8-2-1-3-9-19/h1-13H,14-18H2

InChI Key

UOQOLYLLHCBMGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04170625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.533

Distribution Coefficient, logD

5.533

Water Solubility, LogSw

-6.11

Polar Surface Area

50.604

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

6434-3661 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 6434-3661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6434-3661?
Check Price and Availability of 6434-3661, 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 6434-3661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6434-3661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6434-3661
  • 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 6434-3661 available by request