6872-1556 Screening compound: 2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-1556 Screening compound: 2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-1556 Screening compound: 2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-1556
2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-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

6872-1556

Molecular Formula

C27H31FN2O5 (C27 H31 FN2 O5)

Compound Name

2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCCOc(ccc(C(C1=C2Oc(ccc(F)c3)c3C1=O)N(CCCN(C)C)C2=O)c1)c1OCC

InChI

InChI=1S/C27H31FN2O5/c1-5-14-34-21-10-8-17(15-22(21)33-6-2)24-23-25(31)19-16-18(28)9-11-20(19)35-26(23)27(32)30(24)13-7-12-29(3)4/h8-11,15-16,24H,5-7,12-14H2,1-4H3/t24-/m1/s1

InChI Key

NTGJDFUSHIQWPB-XMMPIXPASA-N

MDL Number (MFCD)

MFCD06647747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

1.911

Water Solubility, LogSw

-3.86

Polar Surface Area

55.563

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

6872-1556 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6872-1556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-1556?
Check Price and Availability of 6872-1556, 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 6872-1556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-1556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-1556
  • 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 6872-1556 available by request