S591-0670 Screening compound: 1-(oxan-4-yl)-3-(propan-2-yl)-1-[1-(pyridine-4-carbonyl)azetidin-3-yl]urea

S591-0670 Screening compound: 1-(oxan-4-yl)-3-(propan-2-yl)-1-[1-(pyridine-4-carbonyl)azetidin-3-yl]urea
S591-0670 Screening compound: 1-(oxan-4-yl)-3-(propan-2-yl)-1-[1-(pyridine-4-carbonyl)azetidin-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S591-0670
1-(oxan-4-yl)-3-(propan-2-yl)-1-[1-(pyridine-4-carbonyl)azetidin-3-yl]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

S591-0670

Molecular Formula

C18H26N4O3 (C18 H26 N4 O3)

Compound Name

1-(oxan-4-yl)-3-(propan-2-yl)-1-[1-(pyridine-4-carbonyl)azetidin-3-yl]urea

IUPAC name

1-(oxan-4-yl)-3-(propan-2-yl)-1-[1-(pyridine-4-carbonyl)azetidin-3-yl]urea

SMILES

CC(C)NC(N(C(C1)CN1C(c1ccncc1)=O)C1CCOCC1)=O

InChI

InChI=1S/C18H26N4O3/c1-13(2)20-18(24)22(15-5-9-25-10-6-15)16-11-21(12-16)17(23)14-3-7-19-8-4-14/h3-4,7-8,13,15-16H,5-6,9-12H2,1-2H3,(H,20,24)

InChI Key

SXPLFWOKMWTAHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31963631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.518

Distribution Coefficient, logD

0.515

Water Solubility, LogSw

-1.05

Polar Surface Area

58.155

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S591-0670 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S591-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S591-0670?
Check Price and Availability of S591-0670, 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 S591-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S591-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S591-0670
  • 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 S591-0670 available by request