L464-0646 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

L464-0646 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
L464-0646 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L464-0646
N-[2-(azepan-1-yl)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-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

L464-0646

Molecular Formula

C17H25N3O3S2 (C17 H25 N3 O3 S2)

Compound Name

N-[2-(azepan-1-yl)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-5-(34-dimethyl-12-oxazol-5-yl)thiophene-2-sulfonamide

SMILES

Cc1c(-c(s2)ccc2S(NCCN2CCCCCC2)(=O)=O)onc1C

InChI

InChI=1S/C17H25N3O3S2/c1-13-14(2)19-23-17(13)15-7-8-16(24-15)25(21,22)18-9-12-20-10-5-3-4-6-11-20/h7-8,18H,3-6,9-12H2,1-2H3

InChI Key

RXWDENUPYTYPOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.73

Polar Surface Area

69.515

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

L464-0646 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 L464-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L464-0646?
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What is the minimum amount of L464-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L464-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L464-0646
  • 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 L464-0646 available by request