6872-5477 Screening compound: 7-fluoro-1-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-(5-methylpyridin-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-5477 Screening compound: 7-fluoro-1-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-(5-methylpyridin-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-5477 Screening compound: 7-fluoro-1-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-(5-methylpyridin-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-5477
7-fluoro-1-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-(5-methylpyridin-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

6872-5477

Molecular Formula

C27H21FN2O5 (C27 H21 FN2 O5)

Compound Name

7-fluoro-1-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-(5-methylpyridin-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

7-fluoro-1-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-(5-methylpyridin-2-yl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc(cc1)cnc1N(C(C1=C2Oc(ccc(F)c3)c3C1=O)c(cc1)cc(OC)c1OCC=C)C2=O

InChI

InChI=1S/C27H21FN2O5/c1-4-11-34-20-8-6-16(12-21(20)33-3)24-23-25(31)18-13-17(28)7-9-19(18)35-26(23)27(32)30(24)22-10-5-15(2)14-29-22/h4-10,12-14,24H,1,11H2,2-3H3/t24-/m1/s1

InChI Key

VFRJHHFBZVWBJG-XMMPIXPASA-N

MDL Number (MFCD)

MFCD07425292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.47

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

4.967

Distribution Coefficient, logD

4.967

Water Solubility, LogSw

-4.64

Polar Surface Area

59.857

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

6872-5477 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 6872-5477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-5477?
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What is the minimum amount of 6872-5477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-5477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-5477
  • 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 6872-5477 available by request