6872-4166 Screening compound: ethyl 2-[1-(2-fluorophenyl)-6,7-dimethyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

6872-4166 Screening compound: ethyl 2-[1-(2-fluorophenyl)-6,7-dimethyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
6872-4166 Screening compound: ethyl 2-[1-(2-fluorophenyl)-6,7-dimethyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-4166
ethyl 2-[1-(2-fluorophenyl)-6,7-dimethyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

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

6872-4166

Molecular Formula

C26H21FN2O5S (C26 H21 FN2 O5 S)

Compound Name

ethyl 2-[1-(2-fluorophenyl)-6,7-dimethyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[1-(2-fluorophenyl)-67-dimethyl-39-dioxo-1H2H3H9H-chromeno[23-c]pyrrol-2-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(N(C(C2=C3Oc(cc(C)c(C)c4)c4C2=O)c(cccc2)c2F)C3=O)s1)=O

InChI

InChI=1S/C26H21FN2O5S/c1-5-33-25(32)23-14(4)28-26(35-23)29-20(15-8-6-7-9-17(15)27)19-21(30)16-10-12(2)13(3)11-18(16)34-22(19)24(29)31/h6-11,20H,5H2,1-4H3/t20-/m1/s1

InChI Key

FPUGCVSZQYTAEQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06643088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.860

Distribution Coefficient, logD

5.860

Water Solubility, LogSw

-5.51

Polar Surface Area

67.272

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

6872-4166 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 6872-4166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-4166?
Check Price and Availability of 6872-4166, 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 6872-4166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-4166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-4166
  • 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 6872-4166 available by request