G531-0059 Screening compound: ethyl 3-phenyl-3-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)propanoate

G531-0059 Screening compound: ethyl 3-phenyl-3-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)propanoate
G531-0059 Screening compound: ethyl 3-phenyl-3-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0059
ethyl 3-phenyl-3-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)propanoate

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

G531-0059

Molecular Formula

C20H28N4O3 (C20 H28 N4 O3)

Compound Name

ethyl 3-phenyl-3-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)propanoate

IUPAC name

ethyl 3-phenyl-3-({[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)propanoate

SMILES

CCOC(CC(c1ccccc1)NC(NCCc1c(C)n(C)nc1C)=O)=O

InChI

InChI=1S/C20H28N4O3/c1-5-27-19(25)13-18(16-9-7-6-8-10-16)22-20(26)21-12-11-17-14(2)23-24(4)15(17)3/h6-10,18H,5,11-13H2,1-4H3,(H2,21,22,26)/t18-/m0/s1

InChI Key

BTXNQKSMNPDORE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27142620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.672

Distribution Coefficient, logD

1.671

Water Solubility, LogSw

-1.99

Polar Surface Area

69.656

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

G531-0059 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G531-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0059?
Check Price and Availability of G531-0059, 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 G531-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0059
  • 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 G531-0059 available by request