8018-2183 Screening compound: 6-amino-5-{2,4-dioxo-6-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

8018-2183 Screening compound: 6-amino-5-{2,4-dioxo-6-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
8018-2183 Screening compound: 6-amino-5-{2,4-dioxo-6-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2183
6-amino-5-{2,4-dioxo-6-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-1,2,3,4-tetrahydropyrimidine-2,4-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

8018-2183

Molecular Formula

C17H11F3N6O4 (C17 H11 F3 N6 O4)

Compound Name

6-amino-5-{2,4-dioxo-6-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-amino-5-{24-dioxo-6-[4-(trifluoromethyl)phenyl]-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-5-yl}-1234-tetrahydropyrimidine-24-dione

SMILES

NC(NC(N1)=O)=C(c2c(-c3ccc(C(F)(F)F)cc3)[nH]c(NC(N3)=O)c2C3=O)C1=O

InChI

InChI=1S/C17H11F3N6O4/c18-17(19,20)6-3-1-5(2-4-6)10-7(8-11(21)23-15(29)25-13(8)27)9-12(22-10)24-16(30)26-14(9)28/h1-4H,(H4,21,23,25,27,29)(H3,22,24,26,28,30)

InChI Key

DXAMMCMSCYAVRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

7.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.656

Distribution Coefficient, logD

0.640

Water Solubility, LogSw

-1.89

Polar Surface Area

129.766

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8018-2183 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8018-2183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2183?
Check Price and Availability of 8018-2183, 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 8018-2183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2183
  • 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 8018-2183 available by request