3807-1660 Screening compound: pentyl 2-[(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

3807-1660 Screening compound: pentyl 2-[(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
3807-1660 Screening compound: pentyl 2-[(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-1660
pentyl 2-[(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-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

3807-1660

Molecular Formula

C26H32N2O4S2 (C26 H32 N2 O4 S2)

Compound Name

pentyl 2-[(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

IUPAC name

pentyl 2-({4-benzyl-12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}sulfanyl)acetate

SMILES

CCCCCOC(CSC(N1Cc2ccccc2)=Nc(sc2c3CC(C)(CC)OC2)c3C1=O)=O

InChI

InChI=1S/C26H32N2O4S2/c1-4-6-10-13-31-21(29)17-33-25-27-23-22(19-14-26(3,5-2)32-16-20(19)34-23)24(30)28(25)15-18-11-8-7-9-12-18/h7-9,11-12H,4-6,10,13-17H2,1-3H3/t26-/m0/s1

InChI Key

ZRZUDWSAAMRWPU-SANMLTNESA-N

MDL Number (MFCD)

MFCD01558552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.420

Distribution Coefficient, logD

6.420

Water Solubility, LogSw

-5.56

Polar Surface Area

54.210

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3807-1660 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3807-1660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-1660?
Check Price and Availability of 3807-1660, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3807-1660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-1660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-1660
  • 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 3807-1660 available by request