F993-0458 Screening compound: 1,3-dimethyl-6-(3-phenylpyrrolidine-1-carbonyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

F993-0458 Screening compound: 1,3-dimethyl-6-(3-phenylpyrrolidine-1-carbonyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
F993-0458 Screening compound: 1,3-dimethyl-6-(3-phenylpyrrolidine-1-carbonyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F993-0458
1,3-dimethyl-6-(3-phenylpyrrolidine-1-carbonyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-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

F993-0458

Molecular Formula

C19H19N3O3S (C19 H19 N3 O3 S)

Compound Name

1,3-dimethyl-6-(3-phenylpyrrolidine-1-carbonyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

IUPAC name

13-dimethyl-6-(3-phenylpyrrolidine-1-carbonyl)-1H2H3H4H-thieno[23-d]pyrimidine-24-dione

SMILES

CN(c(sc(C(N(CC1)CC1c1ccccc1)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C19H19N3O3S/c1-20-16(23)14-10-15(26-18(14)21(2)19(20)25)17(24)22-9-8-13(11-22)12-6-4-3-5-7-12/h3-7,10,13H,8-9,11H2,1-2H3/t13-/m1/s1

InChI Key

AXGFQYSBDQMZCS-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27208606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-3.55

Polar Surface Area

48.469

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

F993-0458 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with F993-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F993-0458?
Check Price and Availability of F993-0458, 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 F993-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F993-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F993-0458
  • 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 F993-0458 available by request