D563-0126 Screening compound: 7-(2-butoxyphenyl)-3-(4-methylbenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

D563-0126 Screening compound: 7-(2-butoxyphenyl)-3-(4-methylbenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
D563-0126 Screening compound: 7-(2-butoxyphenyl)-3-(4-methylbenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D563-0126
7-(2-butoxyphenyl)-3-(4-methylbenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

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

D563-0126

Molecular Formula

C24H25NO4S2 (C24 H25 NO4 S2)

Compound Name

7-(2-butoxyphenyl)-3-(4-methylbenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

IUPAC name

7-(2-butoxyphenyl)-3-(4-methylbenzenesulfonyl)-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

CCCCOc1c(C(C2)c(scc3S(c4ccc(C)cc4)(=O)=O)c3NC2=O)cccc1

InChI

InChI=1S/C24H25NO4S2/c1-3-4-13-29-20-8-6-5-7-18(20)19-14-22(26)25-23-21(15-30-24(19)23)31(27,28)17-11-9-16(2)10-12-17/h5-12,15,19H,3-4,13-14H2,1-2H3,(H,25,26)/t19-/m0/s1

InChI Key

GHRVQEVIAGUMMS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27592772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.407

Distribution Coefficient, logD

5.407

Water Solubility, LogSw

-5.31

Polar Surface Area

60.559

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-8.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with D563-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D563-0126?
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What is the minimum amount of D563-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D563-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D563-0126
  • 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 D563-0126 available by request