L444-0319 Screening compound: 1-(4-{[(4-bromophenyl)sulfonyl]amino}benzoyl)-N~3~-methyl-3-piperidinecarboxamide

L444-0319 Screening compound: 1-(4-{[(4-bromophenyl)sulfonyl]amino}benzoyl)-N~3~-methyl-3-piperidinecarboxamide
L444-0319 Screening compound: 1-(4-{[(4-bromophenyl)sulfonyl]amino}benzoyl)-N~3~-methyl-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L444-0319
1-(4-{[(4-bromophenyl)sulfonyl]amino}benzoyl)-N~3~-methyl-3-piperidinecarboxamide

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

L444-0319

Molecular Formula

C20H22BrN3O4S (C20 H22 BrN3 O4 S)

Compound Name

1-(4-{[(4-bromophenyl)sulfonyl]amino}benzoyl)-N~3~-methyl-3-piperidinecarboxamide

IUPAC name

1-[4-(4-bromobenzenesulfonamido)benzoyl]-N-methylpiperidine-3-carboxamide

SMILES

CNC(C(CCC1)CN1C(c(cc1)ccc1NS(c(cc1)ccc1Br)(=O)=O)=O)=O

InChI

InChI=1S/C20H22BrN3O4S/c1-22-19(25)15-3-2-12-24(13-15)20(26)14-4-8-17(9-5-14)23-29(27,28)18-10-6-16(21)7-11-18/h4-11,15,23H,2-3,12-13H2,1H3,(H,22,25)/t15-/m0/s1

InChI Key

VEOBVOWTPFOGJV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27252895

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

480.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

1.127

Water Solubility, LogSw

-2.80

Polar Surface Area

82.305

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

L444-0319 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L444-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L444-0319?
Check Price and Availability of L444-0319, 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 L444-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L444-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L444-0319
  • 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 L444-0319 available by request