F513-0090 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-1-yl]propan-1-one

F513-0090 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-1-yl]propan-1-one
F513-0090 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F513-0090
1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-1-yl]propan-1-one

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

F513-0090

Molecular Formula

C23H28N6O3S (C23 H28 N6 O3 S)

Compound Name

1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-1-yl]propan-1-one

IUPAC name

1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazol-1-yl]propan-1-one

SMILES

O=C(CCn1c(ccc(S(N2CCCC2)(=O)=O)c2)c2nc1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C23H28N6O3S/c30-23(27-15-13-26(14-16-27)22-5-1-2-9-24-22)8-12-28-18-25-20-17-19(6-7-21(20)28)33(31,32)29-10-3-4-11-29/h1-2,5-7,9,17-18H,3-4,8,10-16H2

InChI Key

YFHHIHSWYQKNMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.912

Distribution Coefficient, logD

1.904

Water Solubility, LogSw

-2.50

Polar Surface Area

70.643

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

F513-0090 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F513-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F513-0090?
Check Price and Availability of F513-0090, 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 F513-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F513-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F513-0090
  • 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 F513-0090 available by request