Y010-0804 Screening compound: 3-(4-chlorophenyl)-4-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

Y010-0804 Screening compound: 3-(4-chlorophenyl)-4-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
Y010-0804 Screening compound: 3-(4-chlorophenyl)-4-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0804
3-(4-chlorophenyl)-4-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

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

Y010-0804

Molecular Formula

C24H18ClN3O3 (C24 H18 ClN3 O3)

Compound Name

3-(4-chlorophenyl)-4-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(4-chlorophenyl)-4-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COc(cc1)ccc1N(C(c1c2[nH]nc1-c(cc1)ccc1Cl)c(cc1)ccc1O)C2=O

InChI

InChI=1S/C24H18ClN3O3/c1-31-19-12-8-17(9-13-19)28-23(15-4-10-18(29)11-5-15)20-21(26-27-22(20)24(28)30)14-2-6-16(25)7-3-14/h2-13,23,29H,1H3,(H,26,27)/t23-/m1/s1

InChI Key

NKRNOYORVPRFRL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06239715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.92

Polar Surface Area

64.688

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

Y010-0804 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y010-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0804?
Check Price and Availability of Y010-0804, 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 Y010-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0804
  • 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 Y010-0804 available by request