6391-0200 Screening compound: methyl 2-[3,9-dioxo-1-(pyridin-3-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

6391-0200 Screening compound: methyl 2-[3,9-dioxo-1-(pyridin-3-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
6391-0200 Screening compound: methyl 2-[3,9-dioxo-1-(pyridin-3-yl)-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 6391-0200
methyl 2-[3,9-dioxo-1-(pyridin-3-yl)-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

6391-0200

Molecular Formula

C22H15N3O5S (C22 H15 N3 O5 S)

Compound Name

methyl 2-[3,9-dioxo-1-(pyridin-3-yl)-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-(pyridin-3-yl)-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)c2cnccc2)C3=O)n1

InChI

InChI=1S/C22H15N3O5S/c1-11-19(21(28)29-2)31-22(24-11)25-16(12-6-5-9-23-10-12)15-17(26)13-7-3-4-8-14(13)30-18(15)20(25)27/h3-10,16H,1-2H3/t16-/m1/s1

InChI Key

GTSLAONFMBGPHD-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06289366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.967

Distribution Coefficient, logD

2.947

Water Solubility, LogSw

-3.34

Polar Surface Area

77.210

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

6391-0200 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 6391-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0200?
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What is the minimum amount of 6391-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0200
  • 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 6391-0200 available by request