F782-0995 Screening compound: 2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-acetamido-1,3-benzothiazol-5-yl)acetamide

F782-0995 Screening compound: 2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-acetamido-1,3-benzothiazol-5-yl)acetamide
F782-0995 Screening compound: 2-(6-chloro-2-ethyl-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 F782-0995
2-(6-chloro-2-ethyl-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

F782-0995

Molecular Formula

C21H19ClN4O4S (C21 H19 ClN4 O4 S)

Compound Name

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

SMILES

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

InChI

InChI=1S/C21H19ClN4O4S/c1-3-16-20(29)26(15-8-12(22)4-6-17(15)30-16)10-19(28)24-13-5-7-18-14(9-13)25-21(31-18)23-11(2)27/h4-9,16H,3,10H2,1-2H3,(H,24,28)(H,23,25,27)/t16-/m1/s1

InChI Key

ODIKVCBMQOCVOG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27189740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.93

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

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.48

Polar Surface Area

79.439

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with F782-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F782-0995?
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What is the minimum amount of F782-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F782-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F782-0995
  • 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 F782-0995 available by request