SB04-0118 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N,2-dimethylfuran-3-carboxamide

SB04-0118 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N,2-dimethylfuran-3-carboxamide
SB04-0118 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N,2-dimethylfuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0118
N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N,2-dimethylfuran-3-carboxamide

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

SB04-0118

Molecular Formula

C19H31N3O5S (C19 H31 N3 O5 S)

Compound Name

N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N,2-dimethylfuran-3-carboxamide

IUPAC name

N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N2-dimethylfuran-3-carboxamide

SMILES

Cc(occ1)c1C(N(C)CCN(C(CC1)CN1S(C)(=O)=O)C1CCOCC1)=O

InChI

InChI=1S/C19H31N3O5S/c1-15-18(7-13-27-15)19(23)20(2)9-10-22(16-5-11-26-12-6-16)17-4-8-21(14-17)28(3,24)25/h7,13,16-17H,4-6,8-12,14H2,1-3H3/t17-/m1/s1

InChI Key

OUCPNQYUALYCRS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32246162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.604

Distribution Coefficient, logD

0.601

Water Solubility, LogSw

-2.18

Polar Surface Area

66.162

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

SB04-0118 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB04-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0118?
Check Price and Availability of SB04-0118, 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 SB04-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0118
  • 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 SB04-0118 available by request