F129-0333 Screening compound: 1-[(3-methoxyphenyl)methyl]-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea

F129-0333 Screening compound: 1-[(3-methoxyphenyl)methyl]-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea
F129-0333 Screening compound: 1-[(3-methoxyphenyl)methyl]-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F129-0333
1-[(3-methoxyphenyl)methyl]-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

F129-0333

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

1-[(3-methoxyphenyl)methyl]-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea

IUPAC name

1-[(3-methoxyphenyl)methyl]-3-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]urea

SMILES

COc1cccc(CNC(NC(C(Oc2c3cccc2)=O)=C3N2CCCC2)=O)c1

InChI

InChI=1S/C22H23N3O4/c1-28-16-8-6-7-15(13-16)14-23-22(27)24-19-20(25-11-4-5-12-25)17-9-2-3-10-18(17)29-21(19)26/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H2,23,24,27)

InChI Key

CBMALBWYEXPYLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27103629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.60

Polar Surface Area

66.265

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F129-0333 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F129-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F129-0333?
Check Price and Availability of F129-0333, 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 F129-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F129-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F129-0333
  • 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 F129-0333 available by request