8019-5485 Screening compound: 2-acetyl-4-(4-chlorophenyl)-3,7-dimethyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(2H)-one

8019-5485 Screening compound: 2-acetyl-4-(4-chlorophenyl)-3,7-dimethyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(2H)-one
8019-5485 Screening compound: 2-acetyl-4-(4-chlorophenyl)-3,7-dimethyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5485
2-acetyl-4-(4-chlorophenyl)-3,7-dimethyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(2H)-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

8019-5485

Molecular Formula

C18H15ClN4O3 (C18 H15 ClN4 O3)

Compound Name

2-acetyl-4-(4-chlorophenyl)-3,7-dimethyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(2H)-one

IUPAC name

5-acetyl-8-(4-chlorophenyl)-612-dimethyl-2-oxa-451113-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)3612-tetraen-10-one

SMILES

CC(n(c(C)c1C2c(cc3)ccc3Cl)nc1OC(N=C(C)N1)=C2C1=O)=O

InChI

InChI=1S/C18H15ClN4O3/c1-8-13-14(11-4-6-12(19)7-5-11)15-16(25)20-9(2)21-17(15)26-18(13)22-23(8)10(3)24/h4-7,14H,1-3H3,(H,20,21,25)/t14-/m1/s1

InChI Key

YMCRHIBFCFVONZ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD10038189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.716

Distribution Coefficient, logD

1.716

Water Solubility, LogSw

-3.09

Polar Surface Area

70.084

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8019-5485 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-5485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5485?
Check Price and Availability of 8019-5485, 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 8019-5485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5485
  • 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 8019-5485 available by request