SB04-0115 Screening compound: 2-(4-fluorophenyl)-N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylacetamide

SB04-0115 Screening compound: 2-(4-fluorophenyl)-N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylacetamide
SB04-0115 Screening compound: 2-(4-fluorophenyl)-N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0115
2-(4-fluorophenyl)-N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylacetamide

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

SB04-0115

Molecular Formula

C21H32FN3O4S (C21 H32 FN3 O4 S)

Compound Name

2-(4-fluorophenyl)-N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylacetamide

IUPAC name

2-(4-fluorophenyl)-N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylacetamide

SMILES

CN(CCN(C(CC1)CN1S(C)(=O)=O)C1CCOCC1)C(Cc(cc1)ccc1F)=O

InChI

InChI=1S/C21H32FN3O4S/c1-23(21(26)15-17-3-5-18(22)6-4-17)11-12-25(19-8-13-29-14-9-19)20-7-10-24(16-20)30(2,27)28/h3-6,19-20H,7-16H2,1-2H3/t20-/m1/s1

InChI Key

YQANBNVHWCMZDR-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32246082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.375

Distribution Coefficient, logD

1.349

Water Solubility, LogSw

-2.14

Polar Surface Area

57.402

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SB04-0115 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB04-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0115?
Check Price and Availability of SB04-0115, 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 SB04-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0115
  • 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 SB04-0115 available by request