F848-0430 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

F848-0430 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]butanamide
F848-0430 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0430
N-(2H-1,3-benzodioxol-5-yl)-4-[5-(dimethylsulfamoyl)-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

F848-0430

Molecular Formula

C19H21N5O5S (C19 H21 N5 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-[5-(dimethylsulfamoyl)-1H-123-benzotriazol-1-yl]butanamide

SMILES

CN(C)S(c(cc1)cc2c1n(CCCC(Nc(cc1)cc3c1OCO3)=O)nn2)(=O)=O

InChI

InChI=1S/C19H21N5O5S/c1-23(2)30(26,27)14-6-7-16-15(11-14)21-22-24(16)9-3-4-19(25)20-13-5-8-17-18(10-13)29-12-28-17/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,20,25)

InChI Key

YBWKTPCWSJCBLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

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

1.296

Distribution Coefficient, logD

1.295

Water Solubility, LogSw

-2.51

Polar Surface Area

99.571

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F848-0430 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 F848-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0430?
Check Price and Availability of F848-0430, 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 F848-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0430
  • 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 F848-0430 available by request