K788-5225 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(cyclohexylsulfanyl)propyl]acetamide

K788-5225 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(cyclohexylsulfanyl)propyl]acetamide
K788-5225 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(cyclohexylsulfanyl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5225
2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(cyclohexylsulfanyl)propyl]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

K788-5225

Molecular Formula

C26H29ClN2O3S (C26 H29 ClN2 O3 S)

Compound Name

2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(cyclohexylsulfanyl)propyl]acetamide

IUPAC name

2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-[3-(cyclohexylsulfanyl)propyl]acetamide

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Cl)C1=O)NCCCSC1CCCCC1

InChI

InChI=1S/C26H29ClN2O3S/c27-21-12-5-4-9-19(21)17-24-26(31)29(22-13-6-7-14-23(22)32-24)18-25(30)28-15-8-16-33-20-10-2-1-3-11-20/h4-7,9,12-14,17,20H,1-3,8,10-11,15-16,18H2,(H,28,30)

InChI Key

LEIVANDCPJRKDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.362

Distribution Coefficient, logD

5.362

Water Solubility, LogSw

-5.79

Polar Surface Area

47.538

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with K788-5225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5225?
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What is the minimum amount of K788-5225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5225
  • 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 K788-5225 available by request