8640-0431 Screening compound: 6-isopropyl-3-(4-methoxyphenyl)-2-[(2-methylallyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

8640-0431 Screening compound: 6-isopropyl-3-(4-methoxyphenyl)-2-[(2-methylallyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
8640-0431 Screening compound: 6-isopropyl-3-(4-methoxyphenyl)-2-[(2-methylallyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0431
6-isopropyl-3-(4-methoxyphenyl)-2-[(2-methylallyl)sulfanyl]-3,5,6,8-tetrahydro-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

8640-0431

Molecular Formula

C23H26N2O3S2 (C23 H26 N2 O3 S2)

Compound Name

6-isopropyl-3-(4-methoxyphenyl)-2-[(2-methylallyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H26N2O3S2/c1-13(2)12-29-23-24-21-20(17-10-18(14(3)4)28-11-19(17)30-21)22(26)25(23)15-6-8-16(27-5)9-7-15/h6-9,14,18H,1,10-12H2,2-5H3/t18-/m1/s1

InChI Key

YFKCFDHHFNHUCM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03284868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.6

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

5.600

Distribution Coefficient, logD

5.600

Water Solubility, LogSw

-5.50

Polar Surface Area

41.150

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

8640-0431 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8640-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0431?
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What is the minimum amount of 8640-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0431
  • 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 8640-0431 available by request