F848-0548 Screening compound: 4-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide

F848-0548 Screening compound: 4-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide
F848-0548 Screening compound: 4-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0548
4-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]-N-(2-methoxy-5-methylphenyl)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

F848-0548

Molecular Formula

C22H29N5O4S (C22 H29 N5 O4 S)

Compound Name

4-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide

IUPAC name

4-[5-(diethylsulfamoyl)-1H-123-benzotriazol-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide

SMILES

CCN(CC)S(c(cc1)cc2c1n(CCCC(Nc(cc(C)cc1)c1OC)=O)nn2)(=O)=O

InChI

InChI=1S/C22H29N5O4S/c1-5-26(6-2)32(29,30)17-10-11-20-18(15-17)24-25-27(20)13-7-8-22(28)23-19-14-16(3)9-12-21(19)31-4/h9-12,14-15H,5-8,13H2,1-4H3,(H,23,28)

InChI Key

LNLLBWSEIUNPDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.79

Polar Surface Area

86.821

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F848-0548 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 F848-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0548?
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What is the minimum amount of F848-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0548
  • 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 F848-0548 available by request