8013-2069 Screening compound: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide

8013-2069 Screening compound: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide
8013-2069 Screening compound: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2069
N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide

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

8013-2069

Molecular Formula

C12H13F3N4O4 (C12 H13 F3 N4 O4)

Compound Name

N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide

IUPAC name

N-[13-dimethyl-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl]propanamide

SMILES

CCC(NC(C(F)(F)F)(C(C(N1C)=O)=C(N2)N(C)C1=O)C2=O)=O

InChI

InChI=1S/C12H13F3N4O4/c1-4-5(20)17-11(12(13,14)15)6-7(16-9(11)22)18(2)10(23)19(3)8(6)21/h4H2,1-3H3,(H,16,22)(H,17,20)/t11-/m0/s1

InChI Key

ROVFZBKSHNIIST-NSHDSACASA-N

MDL Number (MFCD)

MFCD03763683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.210

Distribution Coefficient, logD

-1.792

Water Solubility, LogSw

-1.17

Polar Surface Area

81.395

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8013-2069 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8013-2069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2069?
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What is the minimum amount of 8013-2069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2069
  • 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 8013-2069 available by request