F129-0331 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea

F129-0331 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea
F129-0331 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F129-0331
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea

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

F129-0331

Molecular Formula

C22H21N3O5 (C22 H21 N3 O5)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea

SMILES

O=C(Nc(cc1)cc2c1OCCO2)NC(C(Oc1c2cccc1)=O)=C2N1CCCC1

InChI

InChI=1S/C22H21N3O5/c26-21-19(20(25-9-3-4-10-25)15-5-1-2-6-16(15)30-21)24-22(27)23-14-7-8-17-18(13-14)29-12-11-28-17/h1-2,5-8,13H,3-4,9-12H2,(H2,23,24,27)

InChI Key

YAXAVDDSMDCTRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27103628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.793

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.56

Polar Surface Area

73.222

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F129-0331 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

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

CORONAVIRUS Library (20774 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F129-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F129-0331?
Check Price and Availability of F129-0331, 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 F129-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F129-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F129-0331
  • 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 F129-0331 available by request