3849-0801 Screening compound: methyl 1-acetyl-5-(3-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate

3849-0801 Screening compound: methyl 1-acetyl-5-(3-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate
3849-0801 Screening compound: methyl 1-acetyl-5-(3-methylphenyl)-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 3849-0801
methyl 1-acetyl-5-(3-methylphenyl)-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

3849-0801

Molecular Formula

C16H15N3O5 (C16 H15 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C(C1C(N2c3cc(C)ccc3)=O)C2=O)N=C1C(OC)=O)=O

InChI

InChI=1S/C16H15N3O5/c1-8-5-4-6-10(7-8)18-14(21)11-12(16(23)24-3)17-19(9(2)20)13(11)15(18)22/h4-7,11,13H,1-3H3

InChI Key

DVQBEULFVAMJSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02182919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.490

Distribution Coefficient, logD

0.489

Water Solubility, LogSw

-1.53

Polar Surface Area

76.829

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.30

3849-0801 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3849-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3849-0801?
Check Price and Availability of 3849-0801, 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 3849-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3849-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3849-0801
  • 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 3849-0801 available by request