SB92-1307 Screening compound: N-(1-{[5-(1H-imidazol-1-ylmethyl)-2-furyl]carbonyl}-3-azetanyl)-N-(2-piperidinoethyl)-1-ethanesulfonamide

SB92-1307 Screening compound: N-(1-{[5-(1H-imidazol-1-ylmethyl)-2-furyl]carbonyl}-3-azetanyl)-N-(2-piperidinoethyl)-1-ethanesulfonamide
SB92-1307 Screening compound: N-(1-{[5-(1H-imidazol-1-ylmethyl)-2-furyl]carbonyl}-3-azetanyl)-N-(2-piperidinoethyl)-1-ethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB92-1307
N-(1-{[5-(1H-imidazol-1-ylmethyl)-2-furyl]carbonyl}-3-azetanyl)-N-(2-piperidinoethyl)-1-ethanesulfonamide

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

SB92-1307

Molecular Formula

C21H31N5O4S (C21 H31 N5 O4 S)

Compound Name

N-(1-{[5-(1H-imidazol-1-ylmethyl)-2-furyl]carbonyl}-3-azetanyl)-N-(2-piperidinoethyl)-1-ethanesulfonamide

IUPAC name

N-(1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}azetidin-3-yl)-N-[2-(piperidin-1-yl)ethyl]ethane-1-sulfonamide

SMILES

CCS(N(CCN1CCCCC1)C(C1)CN1C(c1ccc(Cn2cncc2)o1)=O)(=O)=O

InChI

InChI=1S/C21H31N5O4S/c1-2-31(28,29)26(13-12-23-9-4-3-5-10-23)18-14-25(15-18)21(27)20-7-6-19(30-20)16-24-11-8-22-17-24/h6-8,11,17-18H,2-5,9-10,12-16H2,1H3

InChI Key

UDJPDDVFUJMSJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32250109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.842

Distribution Coefficient, logD

0.759

Water Solubility, LogSw

-1.90

Polar Surface Area

72.798

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

SB92-1307 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 SB92-1307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB92-1307?
Check Price and Availability of SB92-1307, 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 SB92-1307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB92-1307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB92-1307
  • 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 SB92-1307 available by request