Y200-4245 Screening compound: 4-({1-ethyl-3-[(methylamino)carbonyl]-1H-pyrazol-4-yl}amino)-4-oxobutanoic acid

Y200-4245 Screening compound: 4-({1-ethyl-3-[(methylamino)carbonyl]-1H-pyrazol-4-yl}amino)-4-oxobutanoic acid
Y200-4245 Screening compound: 4-({1-ethyl-3-[(methylamino)carbonyl]-1H-pyrazol-4-yl}amino)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-4245
4-({1-ethyl-3-[(methylamino)carbonyl]-1H-pyrazol-4-yl}amino)-4-oxobutanoic acid

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

Y200-4245

Molecular Formula

C11H16N4O4 (C11 H16 N4 O4)

Compound Name

4-({1-ethyl-3-[(methylamino)carbonyl]-1H-pyrazol-4-yl}amino)-4-oxobutanoic acid

IUPAC name

3-{[1-ethyl-3-(methylcarbamoyl)-1H-pyrazol-4-yl]carbamoyl}propanoic acid

SMILES

CCn1nc(C(NC)=O)c(NC(CCC(O)=O)=O)c1

InChI

InChI=1S/C11H16N4O4/c1-3-15-6-7(10(14-15)11(19)12-2)13-8(16)4-5-9(17)18/h6H,3-5H2,1-2H3,(H,12,19)(H,13,16)(H,17,18)

InChI Key

COMXNSXNCQTZSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04058419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.757

Distribution Coefficient, logD

-4.706

Water Solubility, LogSw

-1.04

Polar Surface Area

90.958

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

Y200-4245 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Arginase Targeted Library (2009 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y200-4245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-4245?
Check Price and Availability of Y200-4245, 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 Y200-4245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-4245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-4245
  • 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 Y200-4245 available by request