S329-2203 Screening compound: N-[1-(1H-1,3-benzimidazol-5-ylcarbonyl)-4-piperidyl]-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea

S329-2203 Screening compound: N-[1-(1H-1,3-benzimidazol-5-ylcarbonyl)-4-piperidyl]-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea
S329-2203 Screening compound: N-[1-(1H-1,3-benzimidazol-5-ylcarbonyl)-4-piperidyl]-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-2203
N-[1-(1H-1,3-benzimidazol-5-ylcarbonyl)-4-piperidyl]-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea

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

S329-2203

Molecular Formula

C22H31N5O3 (C22 H31 N5 O3)

Compound Name

N-[1-(1H-1,3-benzimidazol-5-ylcarbonyl)-4-piperidyl]-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea

IUPAC name

1-[1-(1H-13-benzodiazole-5-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea

SMILES

CCCNC(N(C(CC1)CCN1C(c(cc1)cc2c1[nH]cn2)=O)C1CCOCC1)=O

InChI

InChI=1S/C22H31N5O3/c1-2-9-23-22(29)27(18-7-12-30-13-8-18)17-5-10-26(11-6-17)21(28)16-3-4-19-20(14-16)25-15-24-19/h3-4,14-15,17-18H,2,5-13H2,1H3,(H,23,29)(H,24,25)

InChI Key

WTEJSDZONITVRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

1.946

Water Solubility, LogSw

-2.50

Polar Surface Area

69.926

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.09

S329-2203 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Bromodomain Modulators Library (5801 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S329-2203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-2203?
Check Price and Availability of S329-2203, 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 S329-2203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-2203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-2203
  • 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 S329-2203 available by request