F081-0877 Screening compound: pentyl 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetate

F081-0877 Screening compound: pentyl 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetate
F081-0877 Screening compound: pentyl 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-0877
pentyl 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetate

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

F081-0877

Molecular Formula

C21H25N3O3S2 (C21 H25 N3 O3 S2)

Compound Name

pentyl 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetate

IUPAC name

pentyl 2-({55-dimethyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaen-15-yl}sulfanyl)acetate

SMILES

CCCCCOC(CSc1c2sc3nc(CC(C)(C)OC4)c4cc3c2ncn1)=O

InChI

InChI=1S/C21H25N3O3S2/c1-4-5-6-7-26-16(25)11-28-20-18-17(22-12-23-20)14-8-13-10-27-21(2,3)9-15(13)24-19(14)29-18/h8,12H,4-7,9-11H2,1-3H3

InChI Key

ZUFZITUUXJJKOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03301708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

5.294

Water Solubility, LogSw

-5.13

Polar Surface Area

59.957

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

References: we are preparing a list of scientific research reports with F081-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-0877?
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What is the minimum amount of F081-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-0877
  • 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 F081-0877 available by request