G411-0131 Screening compound: 5-bromo-2-methoxy-N-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]benzamide

G411-0131 Screening compound: 5-bromo-2-methoxy-N-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]benzamide
G411-0131 Screening compound: 5-bromo-2-methoxy-N-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G411-0131
5-bromo-2-methoxy-N-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]benzamide

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

G411-0131

Molecular Formula

C21H19BrN2O4 (C21 H19 BrN2 O4)

Compound Name

5-bromo-2-methoxy-N-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]benzamide

IUPAC name

5-bromo-2-methoxy-N-[2-oxo-4-(pyrrolidin-1-yl)-2H-chromen-3-yl]benzamide

SMILES

COc(ccc(Br)c1)c1C(NC(C(Oc1c2cccc1)=O)=C2N1CCCC1)=O

InChI

InChI=1S/C21H19BrN2O4/c1-27-16-9-8-13(22)12-15(16)20(25)23-18-19(24-10-4-5-11-24)14-6-2-3-7-17(14)28-21(18)26/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,23,25)

InChI Key

QFTCYVQJJVOADD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27139720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

1.102

Water Solubility, LogSw

-4.30

Polar Surface Area

55.817

Acid Dissociation Constant (pKa)

4.36

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G411-0131 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G411-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G411-0131?
Check Price and Availability of G411-0131, 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 G411-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G411-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G411-0131
  • 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 G411-0131 available by request