F993-0322 Screening compound: 1,3-dimethyl-2,4-dioxo-N-[(oxolan-2-yl)methyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

F993-0322 Screening compound: 1,3-dimethyl-2,4-dioxo-N-[(oxolan-2-yl)methyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
F993-0322 Screening compound: 1,3-dimethyl-2,4-dioxo-N-[(oxolan-2-yl)methyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F993-0322
1,3-dimethyl-2,4-dioxo-N-[(oxolan-2-yl)methyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

F993-0322

Molecular Formula

C14H17N3O4S (C14 H17 N3 O4 S)

Compound Name

1,3-dimethyl-2,4-dioxo-N-[(oxolan-2-yl)methyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

13-dimethyl-24-dioxo-N-[(oxolan-2-yl)methyl]-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CN(c(sc(C(NCC1OCCC1)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C14H17N3O4S/c1-16-12(19)9-6-10(22-13(9)17(2)14(16)20)11(18)15-7-8-4-3-5-21-8/h6,8H,3-5,7H2,1-2H3,(H,15,18)/t8-/m1/s1

InChI Key

BEVPDSKYPMRNLJ-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD09984329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.822

Distribution Coefficient, logD

0.822

Water Solubility, LogSw

-2.15

Polar Surface Area

64.861

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

F993-0322 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F993-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F993-0322?
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What is the minimum amount of F993-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F993-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F993-0322
  • 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 F993-0322 available by request