5921-0008 Screening compound: 8-(butylsulfanyl)-2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

5921-0008 Screening compound: 8-(butylsulfanyl)-2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
5921-0008 Screening compound: 8-(butylsulfanyl)-2,2-dimethyl-5-phenyl-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 5921-0008
8-(butylsulfanyl)-2,2-dimethyl-5-phenyl-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

5921-0008

Molecular Formula

C24H25N3OS2 (C24 H25 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCCCSc1c2sc3nc(-c4ccccc4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C24H25N3OS2/c1-4-5-11-29-23-21-20(25-14-26-23)18-16-12-24(2,3)28-13-17(16)19(27-22(18)30-21)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3

InChI Key

ZXMLELOXJJHJPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01875452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.974

Distribution Coefficient, logD

6.974

Water Solubility, LogSw

-6.19

Polar Surface Area

38.502

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 5921-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 5921-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0008
  • 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 5921-0008 available by request