6391-0257 Screening compound: ethyl 2-[3,9-dioxo-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

6391-0257 Screening compound: ethyl 2-[3,9-dioxo-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
6391-0257 Screening compound: ethyl 2-[3,9-dioxo-1-(3,4,5-trimethoxyphenyl)-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 6391-0257
ethyl 2-[3,9-dioxo-1-(3,4,5-trimethoxyphenyl)-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

6391-0257

Molecular Formula

C27H24N2O8S (C27 H24 N2 O8 S)

Compound Name

ethyl 2-[3,9-dioxo-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[39-dioxo-1-(345-trimethoxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrol-2-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(N(C(C2=C3Oc(cccc4)c4C2=O)c(cc2OC)cc(OC)c2OC)C3=O)s1)=O

InChI

InChI=1S/C27H24N2O8S/c1-6-36-26(32)24-13(2)28-27(38-24)29-20(14-11-17(33-3)22(35-5)18(12-14)34-4)19-21(30)15-9-7-8-10-16(15)37-23(19)25(29)31/h7-12,20H,6H2,1-5H3/t20-/m1/s1

InChI Key

RMIJZOOCAFEUTC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06289409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.280

Distribution Coefficient, logD

4.280

Water Solubility, LogSw

-4.54

Polar Surface Area

90.250

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 6391-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0257?
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What is the minimum amount of 6391-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0257
  • 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 6391-0257 available by request