SA68-1079 Screening compound: 1-benzyl-3-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}urea

SA68-1079 Screening compound: 1-benzyl-3-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}urea
SA68-1079 Screening compound: 1-benzyl-3-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-1079
1-benzyl-3-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}urea

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

SA68-1079

Molecular Formula

C21H34N4O4S (C21 H34 N4 O4 S)

Compound Name

1-benzyl-3-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}urea

IUPAC name

1-benzyl-3-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}urea

SMILES

CS(N(CC1)CCC1N(CCNC(NCc1ccccc1)=O)C1CCOCC1)(=O)=O

InChI

InChI=1S/C21H34N4O4S/c1-30(27,28)24-12-7-19(8-13-24)25(20-9-15-29-16-10-20)14-11-22-21(26)23-17-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3,(H2,22,23,26)

InChI Key

PTKYTDHDXIVUGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.250

Distribution Coefficient, logD

-2.184

Water Solubility, LogSw

-2.20

Polar Surface Area

76.290

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

10.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

References: we are preparing a list of scientific research reports with SA68-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-1079?
Check Price and Availability of SA68-1079, 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 SA68-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-1079
  • 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 SA68-1079 available by request