Y031-1209 Screening compound: 1-[(4-chlorophenyl)methyl]-3,3-dimethylurea

Y031-1209 Screening compound: 1-[(4-chlorophenyl)methyl]-3,3-dimethylurea
Y031-1209 Screening compound: 1-[(4-chlorophenyl)methyl]-3,3-dimethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1209
1-[(4-chlorophenyl)methyl]-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

Y031-1209

Molecular Formula

C10H13ClN2O (C10 H13 ClN2 O)

Compound Name

1-[(4-chlorophenyl)methyl]-3,3-dimethylurea

IUPAC name

1-[(4-chlorophenyl)methyl]-33-dimethylurea

SMILES

CN(C)C(NCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C10H13ClN2O/c1-13(2)10(14)12-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)

InChI Key

YTQYQKJCVPKRHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02335761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

212.68

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.654

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-2.69

Polar Surface Area

26.382

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y031-1209 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-1209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1209?
Check Price and Availability of Y031-1209, 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 Y031-1209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1209
  • 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 Y031-1209 available by request