8017-6765 Screening compound: methyl 5-(2-oxo-2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate

8017-6765 Screening compound: methyl 5-(2-oxo-2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
8017-6765 Screening compound: methyl 5-(2-oxo-2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6765
methyl 5-(2-oxo-2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate

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

8017-6765

Molecular Formula

C11H14N2O3S (C11 H14 N2 O3 S)

Compound Name

methyl 5-(2-oxo-2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate

IUPAC name

methyl 5-{2-oxo-1H2H3H-thieno[34-d]imidazol-4-yl}pentanoate

SMILES

COC(CCCCc(scc1N2)c1NC2=O)=O

InChI

InChI=1S/C11H14N2O3S/c1-16-9(14)5-3-2-4-8-10-7(6-17-8)12-11(15)13-10/h6H,2-5H2,1H3,(H2,12,13,15)

InChI Key

YISDUGVWGWVLRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00233010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.424

Distribution Coefficient, logD

1.424

Water Solubility, LogSw

-1.98

Polar Surface Area

55.310

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

8017-6765 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-6765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6765?
Check Price and Availability of 8017-6765, 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 8017-6765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6765
  • 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 8017-6765 available by request