6391-0049 Screening compound: 1-[3-(pentyloxy)phenyl]-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6391-0049 Screening compound: 1-[3-(pentyloxy)phenyl]-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6391-0049 Screening compound: 1-[3-(pentyloxy)phenyl]-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 6391-0049
1-[3-(pentyloxy)phenyl]-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

6391-0049

Molecular Formula

C25H22N2O4S (C25 H22 N2 O4 S)

Compound Name

1-[3-(pentyloxy)phenyl]-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-[3-(pentyloxy)phenyl]-2-(13-thiazol-2-yl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCCCCOc1cccc(C(C2=C(C3=O)Oc(cccc4)c4C2=O)N3c2nccs2)c1

InChI

InChI=1S/C25H22N2O4S/c1-2-3-6-13-30-17-9-7-8-16(15-17)21-20-22(28)18-10-4-5-11-19(18)31-23(20)24(29)27(21)25-26-12-14-32-25/h4-5,7-12,14-15,21H,2-3,6,13H2,1H3/t21-/m1/s1

InChI Key

CIWJEOXZPPNKDV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04446798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.542

Distribution Coefficient, logD

5.542

Water Solubility, LogSw

-5.34

Polar Surface Area

53.792

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

6391-0049 in Drug Discovery

Included in Screening Libraries

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 6391-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0049?
Check Price and Availability of 6391-0049, 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 6391-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0049
  • 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 6391-0049 available by request