Y500-6975 Screening compound: ethyl 6-[(5-ethoxy-4-nitro-1H-pyrazol-1-yl)methyl]-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Y500-6975 Screening compound: ethyl 6-[(5-ethoxy-4-nitro-1H-pyrazol-1-yl)methyl]-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Y500-6975 Screening compound: ethyl 6-[(5-ethoxy-4-nitro-1H-pyrazol-1-yl)methyl]-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6975
ethyl 6-[(5-ethoxy-4-nitro-1H-pyrazol-1-yl)methyl]-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

Y500-6975

Molecular Formula

C22H27N5O8 (C22 H27 N5 O8)

Compound Name

ethyl 6-[(5-ethoxy-4-nitro-1H-pyrazol-1-yl)methyl]-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 6-[(5-ethoxy-4-nitro-1H-pyrazol-1-yl)methyl]-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(COC)c1OC)N1)=C(Cn2ncc([N+]([O-])=O)c2OCC)NC1=O)=O

InChI

InChI=1S/C22H27N5O8/c1-5-34-20-16(27(30)31)10-23-26(20)11-15-18(21(28)35-6-2)19(25-22(29)24-15)13-7-8-17(33-4)14(9-13)12-32-3/h7-10,19H,5-6,11-12H2,1-4H3,(H2,24,25,29)/t19-/m1/s1

InChI Key

YHXAKNHRULSISS-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.49

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.042

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-2.87

Polar Surface Area

126.755

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

Y500-6975 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 Y500-6975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6975?
Check Price and Availability of Y500-6975, 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 Y500-6975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6975
  • 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 Y500-6975 available by request