G531-0090 Screening compound: 3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-phenylurea

G531-0090 Screening compound: 3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-phenylurea
G531-0090 Screening compound: 3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0090
3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-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

G531-0090

Molecular Formula

C16H22N4O (C16 H22 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCn1nc(C)c(CCNC(Nc2ccccc2)=O)c1C

InChI

InChI=1S/C16H22N4O/c1-4-20-13(3)15(12(2)19-20)10-11-17-16(21)18-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H2,17,18,21)

InChI Key

NZHDCCGPOQEKIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.38

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

2.043

Distribution Coefficient, logD

2.042

Water Solubility, LogSw

-2.56

Polar Surface Area

47.983

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G531-0090 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G531-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0090?
Check Price and Availability of G531-0090, 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 G531-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0090
  • 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 G531-0090 available by request