3849-0799 Screening compound: methyl 1-acetyl-5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate

3849-0799 Screening compound: methyl 1-acetyl-5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate
3849-0799 Screening compound: methyl 1-acetyl-5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3849-0799
methyl 1-acetyl-5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate

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

3849-0799

Molecular Formula

C17H17N3O6 (C17 H17 N3 O6)

Compound Name

methyl 1-acetyl-5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate

IUPAC name

methyl 1-acetyl-5-(4-ethoxyphenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-c]pyrazole-3-carboxylate

SMILES

CCOc(cc1)ccc1N(C(C(C12)C(C(OC)=O)=NN1C(C)=O)=O)C2=O

InChI

InChI=1S/C17H17N3O6/c1-4-26-11-7-5-10(6-8-11)19-15(22)12-13(17(24)25-3)18-20(9(2)21)14(12)16(19)23/h5-8,12,14H,4H2,1-3H3

InChI Key

IBWFFQADTMYRAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02182900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.361

Distribution Coefficient, logD

0.359

Water Solubility, LogSw

-1.38

Polar Surface Area

83.952

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 3849-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3849-0799?
Check Price and Availability of 3849-0799, 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 3849-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3849-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3849-0799
  • 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 3849-0799 available by request