8020-3751 Screening compound: methyl 2-[4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate

8020-3751 Screening compound: methyl 2-[4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate
8020-3751 Screening compound: methyl 2-[4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-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 8020-3751
methyl 2-[4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-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

8020-3751

Molecular Formula

C23H21ClN2O6S (C23 H21 ClN2 O6 S)

Compound Name

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

IUPAC name

methyl 2-[4-(3-chlorophenyl)-7-(34-dimethoxyphenyl)-25-dioxo-2H3H4H5H6H7H-[13]thiazolo[45-b]pyridin-3-yl]acetate

SMILES

COC(CN(C(N(C(CC1c(cc2)cc(OC)c2OC)=O)c2cccc(Cl)c2)=C1S1)C1=O)=O

InChI

InChI=1S/C23H21ClN2O6S/c1-30-17-8-7-13(9-18(17)31-2)16-11-19(27)26(15-6-4-5-14(24)10-15)22-21(16)33-23(29)25(22)12-20(28)32-3/h4-10,16H,11-12H2,1-3H3/t16-/m0/s1

InChI Key

UKAPAHHONLYZRK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD25975462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.95

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.51

Polar Surface Area

67.265

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

-7.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 8020-3751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3751?
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What is the minimum amount of 8020-3751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3751
  • 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 8020-3751 available by request