F556-0095 Screening compound: 3-(4-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperazine-1-carbonyl)-1,2-benzothiazole

F556-0095 Screening compound: 3-(4-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperazine-1-carbonyl)-1,2-benzothiazole
F556-0095 Screening compound: 3-(4-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperazine-1-carbonyl)-1,2-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F556-0095
3-(4-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperazine-1-carbonyl)-1,2-benzothiazole

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

F556-0095

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

3-(4-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperazine-1-carbonyl)-1,2-benzothiazole

IUPAC name

3-(4-{5-[(35-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperazine-1-carbonyl)-12-benzothiazole

SMILES

Cc1cc(C)nn1Cc1ccc(C(N(CC2)CCN2C(c2nsc3c2cccc3)=O)=O)o1

InChI

InChI=1S/C23H23N5O3S/c1-15-13-16(2)28(24-15)14-17-7-8-19(31-17)22(29)26-9-11-27(12-10-26)23(30)21-18-5-3-4-6-20(18)32-25-21/h3-8,13H,9-12,14H2,1-2H3

InChI Key

BUHNOQQJVYMOQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-2.77

Polar Surface Area

65.910

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F556-0095 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F556-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F556-0095?
Check Price and Availability of F556-0095, 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 F556-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F556-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F556-0095
  • 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 F556-0095 available by request