6391-0075 Screening compound: 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6391-0075 Screening compound: 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6391-0075 Screening compound: 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0075
1-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

6391-0075

Molecular Formula

C24H20N2O5S (C24 H20 N2 O5 S)

Compound Name

1-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(34-dimethoxyphenyl)-2-(45-dimethyl-13-thiazol-2-yl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc1c(C)sc(N(C(C2=C3Oc(cccc4)c4C2=O)c(cc2)cc(OC)c2OC)C3=O)n1

InChI

InChI=1S/C24H20N2O5S/c1-12-13(2)32-24(25-12)26-20(14-9-10-17(29-3)18(11-14)30-4)19-21(27)15-7-5-6-8-16(15)31-22(19)23(26)28/h5-11,20H,1-4H3/t20-/m1/s1

InChI Key

SIBUUSLNMNBGSH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03686193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.39

Polar Surface Area

61.780

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

6391-0075 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6391-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0075?
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What is the minimum amount of 6391-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0075
  • 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 6391-0075 available by request