8018-2053 Screening compound: 6-amino-1-methyl-5-{1-methyl-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

8018-2053 Screening compound: 6-amino-1-methyl-5-{1-methyl-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
8018-2053 Screening compound: 6-amino-1-methyl-5-{1-methyl-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 8018-2053
6-amino-1-methyl-5-{1-methyl-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

8018-2053

Molecular Formula

C19H15F3N6O4 (C19 H15 F3 N6 O4)

Compound Name

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

SMILES

CN(c([nH]c(-c1ccc(C(F)(F)F)cc1)c1C(C(N2)=O)=C(N)N(C)C2=O)c1C(N1)=O)C1=O

InChI

InChI=1S/C19H15F3N6O4/c1-27-13(23)10(15(29)25-17(27)31)9-11-14(28(2)18(32)26-16(11)30)24-12(9)7-3-5-8(6-4-7)19(20,21)22/h3-6,24H,23H2,1-2H3,(H,25,29,31)(H,26,30,32)

InChI Key

SKVATJKBPQTYCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.585

Distribution Coefficient, logD

1.585

Water Solubility, LogSw

-2.15

Polar Surface Area

112.485

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8018-2053 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-2053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2053?
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What is the minimum amount of 8018-2053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2053
  • 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 8018-2053 available by request