8640-0420 Screening compound: ethyl 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]acetate

8640-0420 Screening compound: ethyl 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]acetate
8640-0420 Screening compound: ethyl 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]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0420
ethyl 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]acetate

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

8640-0420

Molecular Formula

C24H28N2O4S2 (C24 H28 N2 O4 S2)

Compound Name

ethyl 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]acetate

IUPAC name

ethyl 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}acetate

SMILES

CCOC(CSC(N1CCc2ccccc2)=Nc(sc2c3CC(C(C)C)OC2)c3C1=O)=O

InChI

InChI=1S/C24H28N2O4S2/c1-4-29-20(27)14-31-24-25-22-21(17-12-18(15(2)3)30-13-19(17)32-22)23(28)26(24)11-10-16-8-6-5-7-9-16/h5-9,15,18H,4,10-14H2,1-3H3/t18-/m1/s1

InChI Key

FQZKIBYIBOJLNI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03292804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.123

Distribution Coefficient, logD

5.123

Water Solubility, LogSw

-4.99

Polar Surface Area

54.354

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

8640-0420 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8640-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0420?
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What is the minimum amount of 8640-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0420
  • 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 8640-0420 available by request