8015-9693 Screening compound: 5-{(Z)-1-[1-(tert-butyl)-1H-pyrrol-2-yl]methylidene}-1-(3-fluorophenyl)-2,4,6(1H,3H)-pyrimidinetrione

8015-9693 Screening compound: 5-{(Z)-1-[1-(tert-butyl)-1H-pyrrol-2-yl]methylidene}-1-(3-fluorophenyl)-2,4,6(1H,3H)-pyrimidinetrione
8015-9693 Screening compound: 5-{(Z)-1-[1-(tert-butyl)-1H-pyrrol-2-yl]methylidene}-1-(3-fluorophenyl)-2,4,6(1H,3H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9693
5-{(Z)-1-[1-(tert-butyl)-1H-pyrrol-2-yl]methylidene}-1-(3-fluorophenyl)-2,4,6(1H,3H)-pyrimidinetrione

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

8015-9693

Molecular Formula

C19H18FN3O3 (C19 H18 FN3 O3)

Compound Name

5-{(Z)-1-[1-(tert-butyl)-1H-pyrrol-2-yl]methylidene}-1-(3-fluorophenyl)-2,4,6(1H,3H)-pyrimidinetrione

IUPAC name

(5Z)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(3-fluorophenyl)-13-diazinane-246-trione

SMILES

CC(C)(C)n1c(/C=C(/C(NC(N2c3cccc(F)c3)=O)=O)\C2=O)ccc1

InChI

InChI=1S/C19H18FN3O3/c1-19(2,3)22-9-5-8-13(22)11-15-16(24)21-18(26)23(17(15)25)14-7-4-6-12(20)10-14/h4-11H,1-3H3,(H,21,24,26)

InChI Key

BEEUZQUPGZRLNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03923159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-3.10

Polar Surface Area

56.887

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

8015-9693 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-9693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9693?
Check Price and Availability of 8015-9693, 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 8015-9693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9693
  • 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 8015-9693 available by request