L310-0005 Screening compound: N-(4-acetylphenyl)-6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

L310-0005 Screening compound: N-(4-acetylphenyl)-6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
L310-0005 Screening compound: N-(4-acetylphenyl)-6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L310-0005
N-(4-acetylphenyl)-6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

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

L310-0005

Molecular Formula

C20H17ClN4O6S (C20 H17 ClN4 O6 S)

Compound Name

N-(4-acetylphenyl)-6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

N-(4-acetylphenyl)-6-chloro-4-[(5-methyl-124-oxadiazol-3-yl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

CC(c(cc1)ccc1NS(c(cc(c(N1Cc2noc(C)n2)c2)OCC1=O)c2Cl)(=O)=O)=O

InChI

InChI=1S/C20H17ClN4O6S/c1-11(26)13-3-5-14(6-4-13)24-32(28,29)18-8-17-16(7-15(18)21)25(20(27)10-30-17)9-19-22-12(2)31-23-19/h3-8,24H,9-10H2,1-2H3

InChI Key

AQXABSGIBALWGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.9

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.971

Distribution Coefficient, logD

1.890

Water Solubility, LogSw

-3.11

Polar Surface Area

110.712

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L310-0005 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L310-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L310-0005?
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What is the minimum amount of L310-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L310-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L310-0005
  • 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 L310-0005 available by request