SB92-0945 Screening compound: N-[1-(3,4-difluorobenzoyl)azetidin-3-yl]-N-[2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide

SB92-0945 Screening compound: N-[1-(3,4-difluorobenzoyl)azetidin-3-yl]-N-[2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
SB92-0945 Screening compound: N-[1-(3,4-difluorobenzoyl)azetidin-3-yl]-N-[2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB92-0945
N-[1-(3,4-difluorobenzoyl)azetidin-3-yl]-N-[2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide

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

SB92-0945

Molecular Formula

C22H25F2N3O3S (C22 H25 F2 N3 O3 S)

Compound Name

N-[1-(3,4-difluorobenzoyl)azetidin-3-yl]-N-[2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide

IUPAC name

N-[1-(34-difluorobenzoyl)azetidin-3-yl]-N-[2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide

SMILES

O=C(c(cc1)cc(F)c1F)N(C1)CC1N(CCN1CCCC1)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C22H25F2N3O3S/c23-20-9-8-17(14-21(20)24)22(28)26-15-18(16-26)27(13-12-25-10-4-5-11-25)31(29,30)19-6-2-1-3-7-19/h1-3,6-9,14,18H,4-5,10-13,15-16H2

InChI Key

YXJVKXBCQSLLCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32250105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.527

Distribution Coefficient, logD

2.160

Water Solubility, LogSw

-2.92

Polar Surface Area

52.606

Acid Dissociation Constant (pKa)

25.74

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

SB92-0945 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 SB92-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB92-0945?
Check Price and Availability of SB92-0945, 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 SB92-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB92-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB92-0945
  • 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 SB92-0945 available by request