6391-0032 Screening compound: 1-[4-(benzyloxy)-3-methoxyphenyl]-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6391-0032 Screening compound: 1-[4-(benzyloxy)-3-methoxyphenyl]-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6391-0032 Screening compound: 1-[4-(benzyloxy)-3-methoxyphenyl]-2-(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 6391-0032
1-[4-(benzyloxy)-3-methoxyphenyl]-2-(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

6391-0032

Molecular Formula

C28H20N2O5S (C28 H20 N2 O5 S)

Compound Name

1-[4-(benzyloxy)-3-methoxyphenyl]-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-[4-(benzyloxy)-3-methoxyphenyl]-2-(13-thiazol-2-yl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

COc(cc(C(C1=C(C2=O)Oc(cccc3)c3C1=O)N2c1nccs1)cc1)c1OCc1ccccc1

InChI

InChI=1S/C28H20N2O5S/c1-33-22-15-18(11-12-21(22)34-16-17-7-3-2-4-8-17)24-23-25(31)19-9-5-6-10-20(19)35-26(23)27(32)30(24)28-29-13-14-36-28/h2-15,24H,16H2,1H3/t24-/m1/s1

InChI Key

IWWYXLAKVBPEQM-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03688815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.724

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.95

Polar Surface Area

61.319

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

6391-0032 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6391-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0032?
Check Price and Availability of 6391-0032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6391-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0032
  • 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 6391-0032 available by request