8640-0641 Screening compound: 5-(2-furyl)-2,2-dimethyl-8-(propylthio)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

8640-0641 Screening compound: 5-(2-furyl)-2,2-dimethyl-8-(propylthio)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
8640-0641 Screening compound: 5-(2-furyl)-2,2-dimethyl-8-(propylthio)-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 8640-0641
5-(2-furyl)-2,2-dimethyl-8-(propylthio)-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

8640-0641

Molecular Formula

C21H21N3O2S2 (C21 H21 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCSc1c2sc3nc(-c4ccco4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C21H21N3O2S2/c1-4-8-27-20-18-17(22-11-23-20)15-12-9-21(2,3)26-10-13(12)16(24-19(15)28-18)14-6-5-7-25-14/h5-7,11H,4,8-10H2,1-3H3

InChI Key

FMNGXJUVKGDDNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02234676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.606

Distribution Coefficient, logD

5.606

Water Solubility, LogSw

-5.85

Polar Surface Area

47.081

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

8640-0641 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8640-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0641?
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What is the minimum amount of 8640-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0641
  • 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 8640-0641 available by request