F513-0382 Screening compound: 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]-N-(4-ethylphenyl)propanamide

F513-0382 Screening compound: 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]-N-(4-ethylphenyl)propanamide
F513-0382 Screening compound: 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]-N-(4-ethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F513-0382
3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]-N-(4-ethylphenyl)propanamide

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

F513-0382

Molecular Formula

C21H23F3N4O3S (C21 H23 F3 N4 O3 S)

Compound Name

3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]-N-(4-ethylphenyl)propanamide

IUPAC name

3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]-N-(4-ethylphenyl)propanamide

SMILES

CCc(cc1)ccc1NC(CCn1c(ccc(S(N(C)C)(=O)=O)c2)c2nc1C(F)(F)F)=O

InChI

InChI=1S/C21H23F3N4O3S/c1-4-14-5-7-15(8-6-14)25-19(29)11-12-28-18-10-9-16(32(30,31)27(2)3)13-17(18)26-20(28)21(22,23)24/h5-10,13H,4,11-12H2,1-3H3,(H,25,29)

InChI Key

IFIMERLKCRVOOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.318

Distribution Coefficient, logD

4.318

Water Solubility, LogSw

-4.23

Polar Surface Area

66.959

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F513-0382 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F513-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F513-0382?
Check Price and Availability of F513-0382, 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 F513-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F513-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F513-0382
  • 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 F513-0382 available by request