F513-0017 Screening compound: N-(4-methoxyphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-1-yl]propanamide

F513-0017 Screening compound: N-(4-methoxyphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-1-yl]propanamide
F513-0017 Screening compound: N-(4-methoxyphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F513-0017
N-(4-methoxyphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-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

F513-0017

Molecular Formula

C21H24N4O4S (C21 H24 N4 O4 S)

Compound Name

N-(4-methoxyphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-1-yl]propanamide

IUPAC name

N-(4-methoxyphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazol-1-yl]propanamide

SMILES

COc(cc1)ccc1NC(CCn1c(ccc(S(N2CCCC2)(=O)=O)c2)c2nc1)=O

InChI

InChI=1S/C21H24N4O4S/c1-29-17-6-4-16(5-7-17)23-21(26)10-13-24-15-22-19-14-18(8-9-20(19)24)30(27,28)25-11-2-3-12-25/h4-9,14-15H,2-3,10-13H2,1H3,(H,23,26)

InChI Key

XBMZPAHKFDSGKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.446

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-3.06

Polar Surface Area

73.172

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with F513-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F513-0017?
Check Price and Availability of F513-0017, 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 F513-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F513-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F513-0017
  • 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 F513-0017 available by request