K783-5468 Screening compound: N-benzyl-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

K783-5468 Screening compound: N-benzyl-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
K783-5468 Screening compound: N-benzyl-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5468
N-benzyl-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-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

K783-5468

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

N-benzyl-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-benzyl-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

O=C(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2OCC1=O)NCc1ccccc1

InChI

InChI=1S/C21H23N3O5S/c25-20(22-13-16-6-2-1-3-7-16)14-24-18-12-17(8-9-19(18)29-15-21(24)26)30(27,28)23-10-4-5-11-23/h1-3,6-9,12H,4-5,10-11,13-15H2,(H,22,25)

InChI Key

DLWWFTFOMDDVAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.822

Distribution Coefficient, logD

1.822

Water Solubility, LogSw

-2.71

Polar Surface Area

80.617

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

K783-5468 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K783-5468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5468?
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What is the minimum amount of K783-5468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5468
  • 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 K783-5468 available by request