L310-3004 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

L310-3004 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
L310-3004 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L310-3004
N-[2-(azepan-1-yl)ethyl]-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-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

L310-3004

Molecular Formula

C23H31N5O5S (C23 H31 N5 O5 S)

Compound Name

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

IUPAC name

N-[2-(azepan-1-yl)ethyl]-4-[(5-cyclopropyl-124-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

Cc(cc(c(OC1)c2)N(Cc3noc(C4CC4)n3)C1=O)c2S(NCCN1CCCCCC1)(=O)=O

InChI

InChI=1S/C23H31N5O5S/c1-16-12-18-19(13-20(16)34(30,31)24-8-11-27-9-4-2-3-5-10-27)32-15-22(29)28(18)14-21-25-23(33-26-21)17-6-7-17/h12-13,17,24H,2-11,14-15H2,1H3

InChI Key

KIMHIMPJVIEIPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.098

Distribution Coefficient, logD

2.337

Water Solubility, LogSw

-3.31

Polar Surface Area

103.173

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

L310-3004 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L310-3004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L310-3004?
Check Price and Availability of L310-3004, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L310-3004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L310-3004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L310-3004
  • 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 L310-3004 available by request