3993-0818 Screening compound: N,N-dimethyl-N'-(3-pyridylmethyl)urea

3993-0818 Screening compound: N,N-dimethyl-N'-(3-pyridylmethyl)urea
3993-0818 Screening compound: N,N-dimethyl-N'-(3-pyridylmethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-0818
N,N-dimethyl-N'-(3-pyridylmethyl)urea

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

3993-0818

Molecular Formula

C9H13N3O (C9 H13 N3 O)

Compound Name

N,N-dimethyl-N'-(3-pyridylmethyl)urea

IUPAC name

33-dimethyl-1-[(pyridin-3-yl)methyl]urea

SMILES

CN(C)C(NCc1cnccc1)=O

InChI

InChI=1S/C9H13N3O/c1-12(2)9(13)11-7-8-4-3-5-10-6-8/h3-6H,7H2,1-2H3,(H,11,13)

InChI Key

YNRVAYREOPJJOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

179.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.169

Distribution Coefficient, logD

-0.170

Water Solubility, LogSw

-0.75

Polar Surface Area

35.900

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

3993-0818 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3993-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-0818?
Check Price and Availability of 3993-0818, 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 3993-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-0818
  • 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 3993-0818 available by request