6391-0196 Screening compound: methyl 2-[1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

6391-0196 Screening compound: methyl 2-[1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
6391-0196 Screening compound: methyl 2-[1-(3-ethoxy-4-hydroxyphenyl)-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 6391-0196
methyl 2-[1-(3-ethoxy-4-hydroxyphenyl)-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

6391-0196

Molecular Formula

C25H20N2O7S (C25 H20 N2 O7 S)

Compound Name

methyl 2-[1-(3-ethoxy-4-hydroxyphenyl)-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-ethoxy-4-hydroxyphenyl)-39-dioxo-1H2H3H9H-chromeno[23-c]pyrrol-2-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOc(cc(C(C1=C(C2=O)Oc(cccc3)c3C1=O)N2c1nc(C)c(C(OC)=O)s1)cc1)c1O

InChI

InChI=1S/C25H20N2O7S/c1-4-33-17-11-13(9-10-15(17)28)19-18-20(29)14-7-5-6-8-16(14)34-21(18)23(30)27(19)25-26-12(2)22(35-25)24(31)32-3/h5-11,19,28H,4H2,1-3H3/t19-/m1/s1

InChI Key

AMBAXEQUPMEXMU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06289362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-3.72

Polar Surface Area

91.451

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

6391-0196 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6391-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0196?
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What is the minimum amount of 6391-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0196
  • 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 6391-0196 available by request