G531-0336 Screening compound: 1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-dimethylurea

G531-0336 Screening compound: 1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-dimethylurea
G531-0336 Screening compound: 1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-dimethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0336
1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-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

G531-0336

Molecular Formula

C12H22N4O (C12 H22 N4 O)

Compound Name

1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-dimethylurea

IUPAC name

1-[2-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)ethyl]-13-dimethylurea

SMILES

CCn1nc(C)c(CCN(C)C(NC)=O)c1C

InChI

InChI=1S/C12H22N4O/c1-6-16-10(3)11(9(2)14-16)7-8-15(5)12(17)13-4/h6-8H2,1-5H3,(H,13,17)

InChI Key

DJXHEYLFDCFWGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.860

Distribution Coefficient, logD

0.859

Water Solubility, LogSw

-0.95

Polar Surface Area

41.210

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

G531-0336 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with G531-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0336?
Check Price and Availability of G531-0336, 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 G531-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0336
  • 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 G531-0336 available by request