8640-0418 Screening compound: 2-[(6-isopropyl-4-oxo-3-phenethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

8640-0418 Screening compound: 2-[(6-isopropyl-4-oxo-3-phenethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
8640-0418 Screening compound: 2-[(6-isopropyl-4-oxo-3-phenethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0418
2-[(6-isopropyl-4-oxo-3-phenethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

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

8640-0418

Molecular Formula

C22H25N3O3S2 (C22 H25 N3 O3 S2)

Compound Name

2-[(6-isopropyl-4-oxo-3-phenethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

2-{[3-oxo-4-(2-phenylethyl)-12-(propan-2-yl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}acetamide

SMILES

CC(C)C(C1)OCc2c1c(C(N(CCc1ccccc1)C(SCC(N)=O)=N1)=O)c1s2

InChI

InChI=1S/C22H25N3O3S2/c1-13(2)16-10-15-17(11-28-16)30-20-19(15)21(27)25(22(24-20)29-12-18(23)26)9-8-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3,(H2,23,26)/t16-/m1/s1

InChI Key

SLQBLWJQOITLIF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03300708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.751

Distribution Coefficient, logD

3.751

Water Solubility, LogSw

-4.34

Polar Surface Area

67.584

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

8640-0418 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8640-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0418?
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What is the minimum amount of 8640-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0418
  • 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 8640-0418 available by request