8640-0390 Screening compound: 2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N~1~-methyl-N~1~-phenylacetamide

8640-0390 Screening compound: 2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N~1~-methyl-N~1~-phenylacetamide
8640-0390 Screening compound: 2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N~1~-methyl-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0390
2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N~1~-methyl-N~1~-phenylacetamide

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

8640-0390

Molecular Formula

C22H25N3O2S2 (C22 H25 N3 O2 S2)

Compound Name

2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N~1~-methyl-N~1~-phenylacetamide

IUPAC name

2-({5-ethyl-1212-dimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}sulfanyl)-N-methyl-N-phenylacetamide

SMILES

CCc1nc(SCC(N(C)c2ccccc2)=O)c(c(CC(C)(C)OC2)c2s2)c2n1

InChI

InChI=1S/C22H25N3O2S2/c1-5-17-23-20(28-13-18(26)25(4)14-9-7-6-8-10-14)19-15-11-22(2,3)27-12-16(15)29-21(19)24-17/h6-10H,5,11-13H2,1-4H3

InChI Key

ORUXCAFRIIGNQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03295077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.673

Distribution Coefficient, logD

4.673

Water Solubility, LogSw

-4.73

Polar Surface Area

43.496

Acid Dissociation Constant (pKa)

17.15

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

8640-0390 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8640-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0390?
Check Price and Availability of 8640-0390, 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 8640-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0390
  • 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 8640-0390 available by request