F259-0398F Screening compound: N-(6-{[2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}-1,3-benzothiazol-2-yl)propanamide

F259-0398F Screening compound: N-(6-{[2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}-1,3-benzothiazol-2-yl)propanamide
F259-0398F Screening compound: N-(6-{[2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}-1,3-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F259-0398F
N-(6-{[2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}-1,3-benzothiazol-2-yl)propanamide

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

F259-0398F

Molecular Formula

C21H20N4O4S (C21 H20 N4 O4 S)

Compound Name

N-(6-{[2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}-1,3-benzothiazol-2-yl)propanamide

IUPAC name

N-{6-[2-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamido]-13-benzothiazol-2-yl}propanamide

SMILES

CCC(Nc1nc(ccc(NC(CN2c(cccc3)c3OC(C)C2=O)=O)c2)c2s1)=O

InChI

InChI=1S/C21H20N4O4S/c1-3-18(26)24-21-23-14-9-8-13(10-17(14)30-21)22-19(27)11-25-15-6-4-5-7-16(15)29-12(2)20(25)28/h4-10,12H,3,11H2,1-2H3,(H,22,27)(H,23,24,26)/t12-/m1/s1

InChI Key

JXQYKMVIFMCLCD-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.57

Polar Surface Area

79.132

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

F259-0398F in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 F259-0398F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F259-0398F?
Check Price and Availability of F259-0398F, 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 F259-0398F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F259-0398F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F259-0398F
  • 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 F259-0398F available by request