F848-0076 Screening compound: N-(3-acetylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

F848-0076 Screening compound: N-(3-acetylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide
F848-0076 Screening compound: N-(3-acetylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0076
N-(3-acetylphenyl)-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

F848-0076

Molecular Formula

C22H25N5O4S (C22 H25 N5 O4 S)

Compound Name

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

IUPAC name

N-(3-acetylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]butanamide

SMILES

CC(c1cccc(NC(CCCn2nnc3c2ccc(S(N2CCCC2)(=O)=O)c3)=O)c1)=O

InChI

InChI=1S/C22H25N5O4S/c1-16(28)17-6-4-7-18(14-17)23-22(29)8-5-13-27-21-10-9-19(15-20(21)24-25-27)32(30,31)26-11-2-3-12-26/h4,6-7,9-10,14-15H,2-3,5,8,11-13H2,1H3,(H,23,29)

InChI Key

QUJFVEHHHSUGMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.632

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-2.61

Polar Surface Area

94.696

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F848-0076 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F848-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0076?
Check Price and Availability of F848-0076, 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 F848-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0076
  • 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 F848-0076 available by request