D562-0549 Screening compound: 7-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

D562-0549 Screening compound: 7-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
D562-0549 Screening compound: 7-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D562-0549
7-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-5-oxo-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

D562-0549

Molecular Formula

C27H27NO6S (C27 H27 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1c(C(O)=O)sc(C(C2)c(cc3)cc(OC)c3OC3CCCC3)c1NC2=O

InChI

InChI=1S/C27H27NO6S/c1-32-17-10-7-15(8-11-17)23-24-25(35-26(23)27(30)31)19(14-22(29)28-24)16-9-12-20(21(13-16)33-2)34-18-5-3-4-6-18/h7-13,18-19H,3-6,14H2,1-2H3,(H,28,29)(H,30,31)/t19-/m1/s1

InChI Key

LFXZNLCFIHNDMX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27592552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

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

4.430

Distribution Coefficient, logD

2.630

Water Solubility, LogSw

-4.43

Polar Surface Area

73.771

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D562-0549 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D562-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D562-0549?
Check Price and Availability of D562-0549, 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 D562-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D562-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D562-0549
  • 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 D562-0549 available by request