L629-1308 Screening compound: 2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide

L629-1308 Screening compound: 2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide
L629-1308 Screening compound: 2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L629-1308
2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide

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

L629-1308

Molecular Formula

C18H22BrN3O3S2 (C18 H22 BrN3 O3 S2)

Compound Name

2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide

IUPAC name

2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide

SMILES

CC(C(CC1)CCN1S(c(s1)ccc1Br)(=O)=O)C(NCc1ncccc1)=O

InChI

InChI=1S/C18H22BrN3O3S2/c1-13(18(23)21-12-15-4-2-3-9-20-15)14-7-10-22(11-8-14)27(24,25)17-6-5-16(19)26-17/h2-6,9,13-14H,7-8,10-12H2,1H3,(H,21,23)/t13-/m0/s1

InChI Key

ZWUBWAYDBBCTPN-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27466640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.671

Water Solubility, LogSw

-3.01

Polar Surface Area

66.924

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

L629-1308 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L629-1308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L629-1308?
Check Price and Availability of L629-1308, 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 L629-1308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L629-1308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L629-1308
  • 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 L629-1308 available by request