S055-1104 Screening compound: 3-tert-butyl-1-[(2-ethoxypyridin-3-yl)methyl]-1-methylurea

S055-1104 Screening compound: 3-tert-butyl-1-[(2-ethoxypyridin-3-yl)methyl]-1-methylurea
S055-1104 Screening compound: 3-tert-butyl-1-[(2-ethoxypyridin-3-yl)methyl]-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S055-1104
3-tert-butyl-1-[(2-ethoxypyridin-3-yl)methyl]-1-methylurea

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

S055-1104

Molecular Formula

C14H23N3O2 (C14 H23 N3 O2)

Compound Name

3-tert-butyl-1-[(2-ethoxypyridin-3-yl)methyl]-1-methylurea

IUPAC name

3-tert-butyl-1-[(2-ethoxypyridin-3-yl)methyl]-1-methylurea

SMILES

CCOc1c(CN(C)C(NC(C)(C)C)=O)cccn1

InChI

InChI=1S/C14H23N3O2/c1-6-19-12-11(8-7-9-15-12)10-17(5)13(18)16-14(2,3)4/h7-9H,6,10H2,1-5H3,(H,16,18)

InChI Key

MTTYLLVREZGDNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-2.96

Polar Surface Area

42.556

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

S055-1104 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S055-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S055-1104?
Check Price and Availability of S055-1104, 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 S055-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S055-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S055-1104
  • 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 S055-1104 available by request