8640-0642 Screening compound: 8-butoxy-5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

8640-0642 Screening compound: 8-butoxy-5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
8640-0642 Screening compound: 8-butoxy-5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0642
8-butoxy-5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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

8640-0642

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

8-butoxy-5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

13-butoxy-8-(furan-2-yl)-44-dimethyl-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene

SMILES

CCCCOc1c2sc3nc(-c4ccco4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C22H23N3O3S/c1-4-5-8-27-20-19-18(23-12-24-20)16-13-10-22(2,3)28-11-14(13)17(25-21(16)29-19)15-7-6-9-26-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3

InChI Key

DKTQOVKAGWAMIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02241228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.858

Distribution Coefficient, logD

5.858

Water Solubility, LogSw

-5.77

Polar Surface Area

55.124

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 8640-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0642?
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What is the minimum amount of 8640-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0642
  • 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 8640-0642 available by request