F513-0198 Screening compound: N-(3-methoxypropyl)-3-[5-(pyrrolidine-1-sulfonyl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propanamide

F513-0198 Screening compound: N-(3-methoxypropyl)-3-[5-(pyrrolidine-1-sulfonyl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propanamide
F513-0198 Screening compound: N-(3-methoxypropyl)-3-[5-(pyrrolidine-1-sulfonyl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F513-0198
N-(3-methoxypropyl)-3-[5-(pyrrolidine-1-sulfonyl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]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

F513-0198

Molecular Formula

C19H25F3N4O4S (C19 H25 F3 N4 O4 S)

Compound Name

N-(3-methoxypropyl)-3-[5-(pyrrolidine-1-sulfonyl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propanamide

IUPAC name

N-(3-methoxypropyl)-3-[5-(pyrrolidine-1-sulfonyl)-2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]propanamide

SMILES

COCCCNC(CCn1c(ccc(S(N2CCCC2)(=O)=O)c2)c2nc1C(F)(F)F)=O

InChI

InChI=1S/C19H25F3N4O4S/c1-30-12-4-8-23-17(27)7-11-26-16-6-5-14(31(28,29)25-9-2-3-10-25)13-15(16)24-18(26)19(20,21)22/h5-6,13H,2-4,7-12H2,1H3,(H,23,27)

InChI Key

MNOSIIAAGBUCTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.050

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-2.91

Polar Surface Area

75.149

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with F513-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F513-0198?
Check Price and Availability of F513-0198, 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 F513-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F513-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F513-0198
  • 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 F513-0198 available by request