S240-2072 Screening compound: 1-[5-(hydroxymethyl)pyrrolidin-3-yl]-3,3-dimethylurea

S240-2072 Screening compound: 1-[5-(hydroxymethyl)pyrrolidin-3-yl]-3,3-dimethylurea
S240-2072 Screening compound: 1-[5-(hydroxymethyl)pyrrolidin-3-yl]-3,3-dimethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S240-2072
1-[5-(hydroxymethyl)pyrrolidin-3-yl]-3,3-dimethylurea

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

S240-2072

Molecular Formula

C8H17N3O2 (C8 H17 N3 O2)

Compound Name

1-[5-(hydroxymethyl)pyrrolidin-3-yl]-3,3-dimethylurea

IUPAC name

1-[(3S5S)-5-(hydroxymethyl)pyrrolidin-3-yl]-33-dimethylurea

SMILES

CN(C)C(N[C@@H]1CN[C@H](CO)C1)=O

InChI

InChI=1S/C8H17N3O2/c1-11(2)8(13)10-6-3-7(5-12)9-4-6/h6-7,9,12H,3-5H2,1-2H3,(H,10,13)/t6-,7+/m0/s1

InChI Key

MRIJEFMQMXBWPV-NKWVEPMBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

187.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-1.115

Distribution Coefficient, logD

-5.525

Water Solubility, LogSw

-0.74

Polar Surface Area

55.738

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

11.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

87.50

S240-2072 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D Mimetics PPI Library (1617 compounds)

Natural-Product-Based Library (3730 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Mimetics
  • 3D
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with S240-2072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S240-2072?
Check Price and Availability of S240-2072, 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 S240-2072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S240-2072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S240-2072
  • 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 S240-2072 available by request