G531-0161 Screening compound: 1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(propan-2-yl)urea

G531-0161 Screening compound: 1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(propan-2-yl)urea
G531-0161 Screening compound: 1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0161
1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(propan-2-yl)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

G531-0161

Molecular Formula

C13H24N4O (C13 H24 N4 O)

Compound Name

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

IUPAC name

1-[2-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(propan-2-yl)urea

SMILES

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

InChI

InChI=1S/C13H24N4O/c1-6-17-11(5)12(10(4)16-17)7-8-14-13(18)15-9(2)3/h9H,6-8H2,1-5H3,(H2,14,15,18)

InChI Key

WMYLEADFNGAUJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.981

Distribution Coefficient, logD

0.980

Water Solubility, LogSw

-1.38

Polar Surface Area

48.551

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

G531-0161 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 G531-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0161?
Check Price and Availability of G531-0161, 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 G531-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0161
  • 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 G531-0161 available by request