6391-0334 Screening compound: prop-2-en-1-yl 2-{1-[4-(methoxycarbonyl)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate

6391-0334 Screening compound: prop-2-en-1-yl 2-{1-[4-(methoxycarbonyl)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate
6391-0334 Screening compound: prop-2-en-1-yl 2-{1-[4-(methoxycarbonyl)phenyl]-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 6391-0334
prop-2-en-1-yl 2-{1-[4-(methoxycarbonyl)phenyl]-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

6391-0334

Molecular Formula

C27H20N2O7S (C27 H20 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(OCC=C)=O)sc(N(C(C2=C3Oc(cccc4)c4C2=O)c(cc2)ccc2C(OC)=O)C3=O)n1

InChI

InChI=1S/C27H20N2O7S/c1-4-13-35-26(33)23-14(2)28-27(37-23)29-20(15-9-11-16(12-10-15)25(32)34-3)19-21(30)17-7-5-6-8-18(17)36-22(19)24(29)31/h4-12,20H,1,13H2,2-3H3/t20-/m1/s1

InChI Key

QSVQJAPSOZZTSH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06289470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.72

Polar Surface Area

88.740

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-6.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

6391-0334 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6391-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0334?
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What is the minimum amount of 6391-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0334
  • 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 6391-0334 available by request