S213-1684 Screening compound: N'-(2-chlorophenyl)-N-methyl-N-tetrahydro-3-furanylmethylurea

S213-1684 Screening compound: N'-(2-chlorophenyl)-N-methyl-N-tetrahydro-3-furanylmethylurea
S213-1684 Screening compound: N'-(2-chlorophenyl)-N-methyl-N-tetrahydro-3-furanylmethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1684
N'-(2-chlorophenyl)-N-methyl-N-tetrahydro-3-furanylmethylurea

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

S213-1684

Molecular Formula

C13H17ClN2O2 (C13 H17 ClN2 O2)

Compound Name

N'-(2-chlorophenyl)-N-methyl-N-tetrahydro-3-furanylmethylurea

IUPAC name

n/a

SMILES

CN(CC1COCC1)C(Nc(cccc1)c1Cl)=O

InChI

InChI=1S/C13H17ClN2O2/c1-16(8-10-6-7-18-9-10)13(17)15-12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3,(H,15,17)/t10-/m1/s1

InChI Key

ORYRSLIFVZXSJZ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD30462371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

2.425

Water Solubility, LogSw

-3.04

Polar Surface Area

33.477

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

S213-1684 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S213-1684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1684?
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What is the minimum amount of S213-1684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1684
  • 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 S213-1684 available by request