F222-0673 Screening compound: N-[6-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-1,3-benzothiazol-2-yl]butanamide

F222-0673 Screening compound: N-[6-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-1,3-benzothiazol-2-yl]butanamide
F222-0673 Screening compound: N-[6-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-1,3-benzothiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F222-0673
N-[6-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-1,3-benzothiazol-2-yl]butanamide

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

F222-0673

Molecular Formula

C22H23N3O4S (C22 H23 N3 O4 S)

Compound Name

N-[6-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-1,3-benzothiazol-2-yl]butanamide

IUPAC name

N-[6-(2-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-13-benzothiazol-2-yl]butanamide

SMILES

CCCC(Nc1nc(ccc(CCC(NCc(cc2)cc3c2OCO3)=O)c2)c2s1)=O

InChI

InChI=1S/C22H23N3O4S/c1-2-3-21(27)25-22-24-16-7-4-14(11-19(16)30-22)6-9-20(26)23-12-15-5-8-17-18(10-15)29-13-28-17/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3,(H,23,26)(H,24,25,27)

InChI Key

ZGJHQQCXCCLMIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14944959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.913

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-3.93

Polar Surface Area

74.465

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F222-0673 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F222-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F222-0673?
Check Price and Availability of F222-0673, 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 F222-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F222-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F222-0673
  • 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 F222-0673 available by request