F848-0090 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

F848-0090 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide
F848-0090 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0090
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-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

F848-0090

Molecular Formula

C22H25N5O5S (C22 H25 N5 O5 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]butanamide

SMILES

O=C(CCCn1nnc2c1ccc(S(N1CCCC1)(=O)=O)c2)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H25N5O5S/c28-22(23-16-5-8-20-21(14-16)32-13-12-31-20)4-3-11-27-19-7-6-17(15-18(19)24-25-27)33(29,30)26-9-1-2-10-26/h5-8,14-15H,1-4,9-13H2,(H,23,28)

InChI Key

OPBMVFSSLSAATF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.864

Distribution Coefficient, logD

0.864

Water Solubility, LogSw

-2.42

Polar Surface Area

96.692

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F848-0090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F848-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0090?
Check Price and Availability of F848-0090, 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 F848-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0090
  • 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 F848-0090 available by request