6391-0189 Screening compound: methyl 2-{1-[3-methoxy-4-(pentyloxy)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate

6391-0189 Screening compound: methyl 2-{1-[3-methoxy-4-(pentyloxy)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate
6391-0189 Screening compound: methyl 2-{1-[3-methoxy-4-(pentyloxy)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 6391-0189
methyl 2-{1-[3-methoxy-4-(pentyloxy)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

6391-0189

Molecular Formula

C29H28N2O7S (C29 H28 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCOc(ccc(C(C1=C(C2=O)Oc(cccc3)c3C1=O)N2c1nc(C)c(C(OC)=O)s1)c1)c1OC

InChI

InChI=1S/C29H28N2O7S/c1-5-6-9-14-37-20-13-12-17(15-21(20)35-3)23-22-24(32)18-10-7-8-11-19(18)38-25(22)27(33)31(23)29-30-16(2)26(39-29)28(34)36-4/h7-8,10-13,15,23H,5-6,9,14H2,1-4H3/t23-/m1/s1

InChI Key

BDJSTWXBPRWWST-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06289357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.838

Distribution Coefficient, logD

5.838

Water Solubility, LogSw

-5.42

Polar Surface Area

82.827

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

6391-0189 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 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 6391-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0189?
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What is the minimum amount of 6391-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0189
  • 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 6391-0189 available by request