L470-0741 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-4-cyano-2-fluorobenzamide

L470-0741 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-4-cyano-2-fluorobenzamide
L470-0741 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-4-cyano-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L470-0741
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-4-cyano-2-fluorobenzamide

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

L470-0741

Molecular Formula

C19H20FN3O3S2 (C19 H20 FN3 O3 S2)

Compound Name

N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-4-cyano-2-fluorobenzamide

IUPAC name

N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-4-cyano-2-fluorobenzamide

SMILES

N#Cc(cc1)cc(F)c1C(NCc(s1)ccc1S(N1CCCCCC1)(=O)=O)=O

InChI

InChI=1S/C19H20FN3O3S2/c20-17-11-14(12-21)5-7-16(17)19(24)22-13-15-6-8-18(27-15)28(25,26)23-9-3-1-2-4-10-23/h5-8,11H,1-4,9-10,13H2,(H,22,24)

InChI Key

KUNIREYUNOXYQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27255062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-4.06

Polar Surface Area

74.768

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

L470-0741 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 L470-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L470-0741?
Check Price and Availability of L470-0741, 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 L470-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L470-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L470-0741
  • 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 L470-0741 available by request