8019-8182 Screening compound: 7-[4-(carbamoylmethoxy)phenyl]-5-oxo-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

8019-8182 Screening compound: 7-[4-(carbamoylmethoxy)phenyl]-5-oxo-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
8019-8182 Screening compound: 7-[4-(carbamoylmethoxy)phenyl]-5-oxo-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8182
7-[4-(carbamoylmethoxy)phenyl]-5-oxo-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

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

8019-8182

Molecular Formula

C22H18N2O5S (C22 H18 N2 O5 S)

Compound Name

7-[4-(carbamoylmethoxy)phenyl]-5-oxo-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

IUPAC name

7-[4-(carbamoylmethoxy)phenyl]-5-oxo-3-phenyl-4H5H6H7H-thieno[32-b]pyridine-2-carboxylic acid

SMILES

NC(COc1ccc(C(C2)c(sc(C(O)=O)c3-c4ccccc4)c3NC2=O)cc1)=O

InChI

InChI=1S/C22H18N2O5S/c23-16(25)11-29-14-8-6-12(7-9-14)15-10-17(26)24-19-18(13-4-2-1-3-5-13)21(22(27)28)30-20(15)19/h1-9,15H,10-11H2,(H2,23,25)(H,24,26)(H,27,28)/t15-/m1/s1

InChI Key

CJGSOGSBHQEHMW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD12033692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.901

Distribution Coefficient, logD

0.101

Water Solubility, LogSw

-2.54

Polar Surface Area

92.578

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

8019-8182 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8019-8182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8182?
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What is the minimum amount of 8019-8182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8182
  • 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 8019-8182 available by request