L681-0100 Screening compound: ethyl 2-(2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate

L681-0100 Screening compound: ethyl 2-(2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate
L681-0100 Screening compound: ethyl 2-(2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L681-0100
ethyl 2-(2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate

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

L681-0100

Molecular Formula

C25H25N5O5 (C25 H25 N5 O5)

Compound Name

ethyl 2-(2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{6-benzyl-2-ethyl-57-dioxo-2H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl}acetamido)benzoate

SMILES

CCn(cc1N(CC(Nc(cccc2)c2C(OCC)=O)=O)C(N2Cc3ccccc3)=O)nc1C2=O

InChI

InChI=1S/C25H25N5O5/c1-3-28-15-20-22(27-28)23(32)30(14-17-10-6-5-7-11-17)25(34)29(20)16-21(31)26-19-13-9-8-12-18(19)24(33)35-4-2/h5-13,15H,3-4,14,16H2,1-2H3,(H,26,31)

InChI Key

CIIMMUPSCMJDFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.32

Polar Surface Area

89.611

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

L681-0100 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 L681-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L681-0100?
Check Price and Availability of L681-0100, 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 L681-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L681-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L681-0100
  • 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 L681-0100 available by request