F782-0994 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-acetamido-1,3-benzothiazol-5-yl)acetamide

F782-0994 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-acetamido-1,3-benzothiazol-5-yl)acetamide
F782-0994 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-acetamido-1,3-benzothiazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F782-0994
2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-acetamido-1,3-benzothiazol-5-yl)acetamide

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

F782-0994

Molecular Formula

C19H15ClN4O4S (C19 H15 ClN4 O4 S)

Compound Name

2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-acetamido-1,3-benzothiazol-5-yl)acetamide

IUPAC name

2-(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-(2-acetamido-13-benzothiazol-5-yl)acetamide

SMILES

CC(Nc1nc(cc(cc2)NC(CN3c(cc(cc4)Cl)c4OCC3=O)=O)c2s1)=O

InChI

InChI=1S/C19H15ClN4O4S/c1-10(25)21-19-23-13-7-12(3-5-16(13)29-19)22-17(26)8-24-14-6-11(20)2-4-15(14)28-9-18(24)27/h2-7H,8-9H2,1H3,(H,22,26)(H,21,23,25)

InChI Key

PIUAZMRSKBOSIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27189739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.44

Polar Surface Area

80.241

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with F782-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F782-0994?
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What is the minimum amount of F782-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F782-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F782-0994
  • 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 F782-0994 available by request