8020-1028 Screening compound: 3-(3-hydroxybenzoyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

8020-1028 Screening compound: 3-(3-hydroxybenzoyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
8020-1028 Screening compound: 3-(3-hydroxybenzoyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1028
3-(3-hydroxybenzoyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-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

8020-1028

Molecular Formula

C18H16N2O5S (C18 H16 N2 O5 S)

Compound Name

3-(3-hydroxybenzoyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

4-(3-hydroxybenzoyl)-1212-dimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(C)(C1)OCc2c1c(C(N(C(c1cc(O)ccc1)=O)C(N1)=O)=O)c1s2

InChI

InChI=1S/C18H16N2O5S/c1-18(2)7-11-12(8-25-18)26-14-13(11)16(23)20(17(24)19-14)15(22)9-4-3-5-10(21)6-9/h3-6,21H,7-8H2,1-2H3,(H,19,24)

InChI Key

SJKADDARDDFRMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.142

Distribution Coefficient, logD

-0.332

Water Solubility, LogSw

-2.64

Polar Surface Area

78.202

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-11.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8020-1028 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8020-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1028?
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What is the minimum amount of 8020-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1028
  • 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 8020-1028 available by request