L470-0606 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-acetamido-4-methylbenzamide

L470-0606 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-acetamido-4-methylbenzamide
L470-0606 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-acetamido-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L470-0606
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-acetamido-4-methylbenzamide

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

L470-0606

Molecular Formula

C21H27N3O4S2 (C21 H27 N3 O4 S2)

Compound Name

N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-acetamido-4-methylbenzamide

IUPAC name

N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-acetamido-4-methylbenzamide

SMILES

CC(Nc1c(C)ccc(C(NCc(s2)ccc2S(N2CCCCCC2)(=O)=O)=O)c1)=O

InChI

InChI=1S/C21H27N3O4S2/c1-15-7-8-17(13-19(15)23-16(2)25)21(26)22-14-18-9-10-20(29-18)30(27,28)24-11-5-3-4-6-12-24/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,22,26)(H,23,25)

InChI Key

ZFENVJNKLLRXCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27255000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-3.14

Polar Surface Area

80.276

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L470-0606 in Drug Discovery

Included in Screening Libraries

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

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L470-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L470-0606?
Check Price and Availability of L470-0606, 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 L470-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L470-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L470-0606
  • 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 L470-0606 available by request