L470-0693 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2-phenoxypropanamide

L470-0693 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2-phenoxypropanamide
L470-0693 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L470-0693
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2-phenoxypropanamide

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

L470-0693

Molecular Formula

C20H26N2O4S2 (C20 H26 N2 O4 S2)

Compound Name

N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2-phenoxypropanamide

IUPAC name

N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2-phenoxypropanamide

SMILES

CC(C(NCc(s1)ccc1S(N1CCCCCC1)(=O)=O)=O)Oc1ccccc1

InChI

InChI=1S/C20H26N2O4S2/c1-16(26-17-9-5-4-6-10-17)20(23)21-15-18-11-12-19(27-18)28(24,25)22-13-7-2-3-8-14-22/h4-6,9-12,16H,2-3,7-8,13-15H2,1H3,(H,21,23)/t16-/m0/s1

InChI Key

JOEVBANDAGBUMQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27255040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.72

Polar Surface Area

64.501

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

L470-0693 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 L470-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L470-0693?
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What is the minimum amount of L470-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L470-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L470-0693
  • 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 L470-0693 available by request