8640-0256 Screening compound: 2-(4-methoxyphenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

8640-0256 Screening compound: 2-(4-methoxyphenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
8640-0256 Screening compound: 2-(4-methoxyphenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0256
2-(4-methoxyphenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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

8640-0256

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

2-(4-methoxyphenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-(4-methoxyphenyl)-1212-dimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-3-one

SMILES

CC(C)(C1)OCc2c1c(C(NC(c(cc1)ccc1OC)N1)=O)c1s2

InChI

InChI=1S/C18H20N2O3S/c1-18(2)8-12-13(9-23-18)24-17-14(12)16(21)19-15(20-17)10-4-6-11(22-3)7-5-10/h4-7,15,20H,8-9H2,1-3H3,(H,19,21)/t15-/m1/s1

InChI Key

CMLWEIXKAKJYIL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04024525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

3.064

Water Solubility, LogSw

-3.42

Polar Surface Area

51.441

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

8640-0256 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 8640-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0256?
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What is the minimum amount of 8640-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0256
  • 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 8640-0256 available by request