6131-0066 Screening compound: 4-(hexyloxy)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

6131-0066 Screening compound: 4-(hexyloxy)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
6131-0066 Screening compound: 4-(hexyloxy)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6131-0066
4-(hexyloxy)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']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

6131-0066

Molecular Formula

C20H25N3O2S (C20 H25 N3 O2 S)

Compound Name

4-(hexyloxy)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

15-(hexyloxy)-55-dimethyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaene

SMILES

CCCCCCOc1c2sc3nc(CC(C)(C)OC4)c4cc3c2ncn1

InChI

InChI=1S/C20H25N3O2S/c1-4-5-6-7-8-24-18-17-16(21-12-22-18)14-9-13-11-25-20(2,3)10-15(13)23-19(14)26-17/h9,12H,4-8,10-11H2,1-3H3

InChI Key

VJXBANVTPFTJOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02997389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.844

Distribution Coefficient, logD

5.814

Water Solubility, LogSw

-5.39

Polar Surface Area

47.548

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with 6131-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6131-0066?
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What is the minimum amount of 6131-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6131-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6131-0066
  • 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 6131-0066 available by request