8020-4711 Screening compound: methyl 2-[4-(3-chlorophenyl)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate

8020-4711 Screening compound: methyl 2-[4-(3-chlorophenyl)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate
8020-4711 Screening compound: methyl 2-[4-(3-chlorophenyl)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4711
methyl 2-[4-(3-chlorophenyl)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate

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

8020-4711

Molecular Formula

C24H23ClN2O7S (C24 H23 ClN2 O7 S)

Compound Name

methyl 2-[4-(3-chlorophenyl)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate

IUPAC name

methyl 2-[4-(3-chlorophenyl)-25-dioxo-7-(345-trimethoxyphenyl)-2H3H4H5H6H7H-[13]thiazolo[45-b]pyridin-3-yl]acetate

SMILES

COC(CN(C(N(C(CC1c(cc2OC)cc(OC)c2OC)=O)c2cccc(Cl)c2)=C1S1)C1=O)=O

InChI

InChI=1S/C24H23ClN2O7S/c1-31-17-8-13(9-18(32-2)21(17)34-4)16-11-19(28)27(15-7-5-6-14(25)10-15)23-22(16)35-24(30)26(23)12-20(29)33-3/h5-10,16H,11-12H2,1-4H3/t16-/m0/s1

InChI Key

IYKBGEWKXQDVPL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD25975842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.97

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.903

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-4.38

Polar Surface Area

74.982

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

-7.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

8020-4711 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-4711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4711?
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What is the minimum amount of 8020-4711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4711
  • 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 8020-4711 available by request