F848-0409 Screening compound: ethyl 4-{4-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]butanamido}benzoate

F848-0409 Screening compound: ethyl 4-{4-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]butanamido}benzoate
F848-0409 Screening compound: ethyl 4-{4-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]butanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0409
ethyl 4-{4-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]butanamido}benzoate

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

F848-0409

Molecular Formula

C21H25N5O5S (C21 H25 N5 O5 S)

Compound Name

ethyl 4-{4-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]butanamido}benzoate

IUPAC name

ethyl 4-{4-[5-(dimethylsulfamoyl)-1H-123-benzotriazol-1-yl]butanamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCCn1nnc2c1ccc(S(N(C)C)(=O)=O)c2)=O)=O

InChI

InChI=1S/C21H25N5O5S/c1-4-31-21(28)15-7-9-16(10-8-15)22-20(27)6-5-13-26-19-12-11-17(14-18(19)23-24-26)32(29,30)25(2)3/h7-12,14H,4-6,13H2,1-3H3,(H,22,27)

InChI Key

WANRQAAOHJGUPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.064

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.93

Polar Surface Area

103.210

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F848-0409 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 F848-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0409?
Check Price and Availability of F848-0409, 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 F848-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0409
  • 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 F848-0409 available by request