8015-6200 Screening compound: 2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide

8015-6200 Screening compound: 2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide
8015-6200 Screening compound: 2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6200
2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide

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

8015-6200

Molecular Formula

C22H20FN5O3S (C22 H20 FN5 O3 S)

Compound Name

2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide

IUPAC name

2-({7-[(2-fluorophenyl)methyl]-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide

SMILES

CN(c1c(C(N2C)=O)n(Cc(cccc3)c3F)c(SCC(Nc3ccccc3)=O)n1)C2=O

InChI

InChI=1S/C22H20FN5O3S/c1-26-19-18(20(30)27(2)22(26)31)28(12-14-8-6-7-11-16(14)23)21(25-19)32-13-17(29)24-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,24,29)

InChI Key

HOWNGNDYJXIRJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-3.92

Polar Surface Area

66.164

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8015-6200 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8015-6200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6200?
Check Price and Availability of 8015-6200, 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 8015-6200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6200
  • 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 8015-6200 available by request