L799-1727 Screening compound: 2-{1-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide

L799-1727 Screening compound: 2-{1-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide
L799-1727 Screening compound: 2-{1-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L799-1727
2-{1-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]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

L799-1727

Molecular Formula

C21H25N3O5S2 (C21 H25 N3 O5 S2)

Compound Name

2-{1-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-{1-[(3-ethyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide

SMILES

CCN(c(ccc(S(N1CCC(CC(NCc2cccs2)=O)CC1)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C21H25N3O5S2/c1-2-24-18-6-5-17(13-19(18)29-21(24)26)31(27,28)23-9-7-15(8-10-23)12-20(25)22-14-16-4-3-11-30-16/h3-6,11,13,15H,2,7-10,12,14H2,1H3,(H,22,25)

InChI Key

VXPBNAIXTXQMHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.967

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-3.63

Polar Surface Area

79.993

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with L799-1727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L799-1727?
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What is the minimum amount of L799-1727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L799-1727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L799-1727
  • 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 L799-1727 available by request