8020-5727 Screening compound: diethyl 4-amino-1-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-dicarboxylate

8020-5727 Screening compound: diethyl 4-amino-1-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-dicarboxylate
8020-5727 Screening compound: diethyl 4-amino-1-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5727
diethyl 4-amino-1-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-dicarboxylate

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

8020-5727

Molecular Formula

C18H23N3O7 (C18 H23 N3 O7)

Compound Name

diethyl 4-amino-1-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-dicarboxylate

IUPAC name

35-diethyl 4-amino-1-(345-trimethoxyphenyl)-1H-pyrazole-35-dicarboxylate

SMILES

CCOC(c(n(-c(cc1OC)cc(OC)c1OC)nc1C(OCC)=O)c1N)=O

InChI

InChI=1S/C18H23N3O7/c1-6-27-17(22)14-13(19)15(18(23)28-7-2)21(20-14)10-8-11(24-3)16(26-5)12(9-10)25-4/h8-9H,6-7,19H2,1-5H3

InChI Key

NCLVWJZPUUZPNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23703710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.809

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-2.05

Polar Surface Area

97.751

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

8020-5727 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 8020-5727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5727?
Check Price and Availability of 8020-5727, 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 8020-5727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5727
  • 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 8020-5727 available by request