8015-6652 Screening compound: 6-butyl-4-(4-hydroxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

8015-6652 Screening compound: 6-butyl-4-(4-hydroxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
8015-6652 Screening compound: 6-butyl-4-(4-hydroxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6652
6-butyl-4-(4-hydroxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

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

8015-6652

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

6-butyl-4-(4-hydroxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

6-butyl-4-(4-hydroxyphenyl)-1-methyl-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CCCCN(CC(N1C)=C2C(c(cc3)ccc3O)NC1=O)C2=O

InChI

InChI=1S/C17H21N3O3/c1-3-4-9-20-10-13-14(16(20)22)15(18-17(23)19(13)2)11-5-7-12(21)8-6-11/h5-8,15,21H,3-4,9-10H2,1-2H3,(H,18,23)/t15-/m0/s1

InChI Key

VJMHDXOCXUHOFS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05257503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

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

1.516

Distribution Coefficient, logD

1.512

Water Solubility, LogSw

-1.99

Polar Surface Area

62.369

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

8015-6652 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8015-6652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6652?
Check Price and Availability of 8015-6652, 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 8015-6652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6652
  • 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 8015-6652 available by request