S329-2315F Screening compound: 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea

S329-2315F Screening compound: 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea
S329-2315F Screening compound: 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-2315F
1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea

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

S329-2315F

Molecular Formula

C19H28ClN3O3S (C19 H28 ClN3 O3 S)

Compound Name

1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea

IUPAC name

1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea

SMILES

CCCNC(N(C(CC1)CCN1C(c(s1)ccc1Cl)=O)C1CCOCC1)=O

InChI

InChI=1S/C19H28ClN3O3S/c1-2-9-21-19(25)23(15-7-12-26-13-8-15)14-5-10-22(11-6-14)18(24)16-3-4-17(20)27-16/h3-4,14-15H,2,5-13H2,1H3,(H,21,25)

InChI Key

TVGAEYSYLFXARD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.662

Distribution Coefficient, logD

3.661

Water Solubility, LogSw

-3.91

Polar Surface Area

50.414

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.42

S329-2315F 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 S329-2315F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-2315F?
Check Price and Availability of S329-2315F, 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 S329-2315F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-2315F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-2315F
  • 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 S329-2315F available by request