6391-0222 Screening compound: methyl 2-{3,9-dioxo-1-[3-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate

6391-0222 Screening compound: methyl 2-{3,9-dioxo-1-[3-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate
6391-0222 Screening compound: methyl 2-{3,9-dioxo-1-[3-(prop-2-en-1-yloxy)phenyl]-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 6391-0222
methyl 2-{3,9-dioxo-1-[3-(prop-2-en-1-yloxy)phenyl]-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

6391-0222

Molecular Formula

C26H20N2O6S (C26 H20 N2 O6 S)

Compound Name

methyl 2-{3,9-dioxo-1-[3-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

methyl 2-{39-dioxo-1-[3-(prop-2-en-1-yloxy)phenyl]-1H2H3H9H-chromeno[23-c]pyrrol-2-yl}-4-methyl-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OC)=O)sc(N(C(C2=C3Oc(cccc4)c4C2=O)c2cc(OCC=C)ccc2)C3=O)n1

InChI

InChI=1S/C26H20N2O6S/c1-4-12-33-16-9-7-8-15(13-16)20-19-21(29)17-10-5-6-11-18(17)34-22(19)24(30)28(20)26-27-14(2)23(35-26)25(31)32-3/h4-11,13,20H,1,12H2,2-3H3/t20-/m1/s1

InChI Key

GDGDOILIESTIFZ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06289384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.52

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

4.702

Distribution Coefficient, logD

4.702

Water Solubility, LogSw

-4.75

Polar Surface Area

75.110

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

6391-0222 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6391-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0222?
Check Price and Availability of 6391-0222, 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 6391-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0222
  • 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 6391-0222 available by request