6391-0345 Screening compound: prop-2-en-1-yl 4-methyl-2-{1-[3-(3-methylbutoxy)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-1,3-thiazole-5-carboxylate

6391-0345 Screening compound: prop-2-en-1-yl 4-methyl-2-{1-[3-(3-methylbutoxy)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-1,3-thiazole-5-carboxylate
6391-0345 Screening compound: prop-2-en-1-yl 4-methyl-2-{1-[3-(3-methylbutoxy)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0345
prop-2-en-1-yl 4-methyl-2-{1-[3-(3-methylbutoxy)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-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

6391-0345

Molecular Formula

C30H28N2O6S (C30 H28 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCOc1cccc(C(C2=C(C3=O)Oc(cccc4)c4C2=O)N3c2nc(C)c(C(OCC=C)=O)s2)c1

InChI

InChI=1S/C30H28N2O6S/c1-5-14-37-29(35)27-18(4)31-30(39-27)32-24(19-9-8-10-20(16-19)36-15-13-17(2)3)23-25(33)21-11-6-7-12-22(21)38-26(23)28(32)34/h5-12,16-17,24H,1,13-15H2,2-4H3/t24-/m1/s1

InChI Key

SOIZLEOKGXOMSI-XMMPIXPASA-N

MDL Number (MFCD)

MFCD06289479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.296

Distribution Coefficient, logD

6.296

Water Solubility, LogSw

-5.64

Polar Surface Area

74.984

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-6.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

6391-0345 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 6391-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0345?
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What is the minimum amount of 6391-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0345
  • 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 6391-0345 available by request