P163-0871 Screening compound: methyl 3-{4-benzyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-amido}benzoate

P163-0871 Screening compound: methyl 3-{4-benzyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-amido}benzoate
P163-0871 Screening compound: methyl 3-{4-benzyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P163-0871
methyl 3-{4-benzyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-amido}benzoate

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

P163-0871

Molecular Formula

C23H18N2O5S (C23 H18 N2 O5 S)

Compound Name

methyl 3-{4-benzyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-amido}benzoate

IUPAC name

methyl 3-{4-benzyl-7-hydroxy-5-oxo-4H5H-thieno[32-b]pyridine-6-amido}benzoate

SMILES

COC(c1cccc(NC(C(C(N(Cc2ccccc2)c2c3scc2)=O)=C3O)=O)c1)=O

InChI

InChI=1S/C23H18N2O5S/c1-30-23(29)15-8-5-9-16(12-15)24-21(27)18-19(26)20-17(10-11-31-20)25(22(18)28)13-14-6-3-2-4-7-14/h2-12,26H,13H2,1H3,(H,24,27)

InChI Key

NDUSJCUZPMVHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

-2.458

Water Solubility, LogSw

-4.07

Polar Surface Area

75.696

Acid Dissociation Constant (pKa)

0.90

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with P163-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P163-0871?
Check Price and Availability of P163-0871, 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 P163-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P163-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P163-0871
  • 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 P163-0871 available by request