F782-1868 Screening compound: N-{5-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}-2-methylpropanamide

F782-1868 Screening compound: N-{5-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}-2-methylpropanamide
F782-1868 Screening compound: N-{5-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F782-1868
N-{5-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}-2-methylpropanamide

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

F782-1868

Molecular Formula

C23H23ClN4O4S (C23 H23 ClN4 O4 S)

Compound Name

N-{5-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}-2-methylpropanamide

IUPAC name

N-{5-[2-(6-chloro-2-ethyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamido]-13-benzothiazol-2-yl}-2-methylpropanamide

SMILES

CCC1Oc(ccc(Cl)c2)c2N(CC(Nc(cc2)cc3c2sc(NC(C(C)C)=O)n3)=O)C1=O

InChI

InChI=1S/C23H23ClN4O4S/c1-4-17-22(31)28(16-9-13(24)5-7-18(16)32-17)11-20(29)25-14-6-8-19-15(10-14)26-23(33-19)27-21(30)12(2)3/h5-10,12,17H,4,11H2,1-3H3,(H,25,29)(H,26,27,30)/t17-/m1/s1

InChI Key

QVESJUJTHFWART-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27189752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-5.43

Polar Surface Area

79.540

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

F782-1868 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F782-1868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F782-1868?
Check Price and Availability of F782-1868, 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 F782-1868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F782-1868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F782-1868
  • 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 F782-1868 available by request