D048-0113 Screening compound: 3-(1-cyano-1-methylethyl)-1-phenylurea

D048-0113 Screening compound: 3-(1-cyano-1-methylethyl)-1-phenylurea
D048-0113 Screening compound: 3-(1-cyano-1-methylethyl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0113
3-(1-cyano-1-methylethyl)-1-phenylurea

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

D048-0113

Molecular Formula

C11H13N3O (C11 H13 N3 O)

Compound Name

3-(1-cyano-1-methylethyl)-1-phenylurea

IUPAC name

3-(1-cyano-1-methylethyl)-1-phenylurea

SMILES

CC(C)(C#N)NC(Nc1ccccc1)=O

InChI

InChI=1S/C11H13N3O/c1-11(2,8-12)14-10(15)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,13,14,15)

InChI Key

XGKYIUMUIGODRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00453452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.934

Water Solubility, LogSw

-2.35

Polar Surface Area

50.482

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D048-0113 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D048-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0113?
Check Price and Availability of D048-0113, 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 D048-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0113
  • 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 D048-0113 available by request