6228-0918 Screening compound: 4-chloro-2-{[3-(dimethylamino)propyl]amino}-5-(piperidinosulfonyl)benzoic acid

6228-0918 Screening compound: 4-chloro-2-{[3-(dimethylamino)propyl]amino}-5-(piperidinosulfonyl)benzoic acid
6228-0918 Screening compound: 4-chloro-2-{[3-(dimethylamino)propyl]amino}-5-(piperidinosulfonyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0918
4-chloro-2-{[3-(dimethylamino)propyl]amino}-5-(piperidinosulfonyl)benzoic acid

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

6228-0918

Molecular Formula

C17H26ClN3O4S (C17 H26 ClN3 O4 S)

Compound Name

4-chloro-2-{[3-(dimethylamino)propyl]amino}-5-(piperidinosulfonyl)benzoic acid

IUPAC name

n/a

SMILES

CN(C)CCCNc(c(C(O)=O)c1)cc(Cl)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C17H26ClN3O4S/c1-20(2)8-6-7-19-15-12-14(18)16(11-13(15)17(22)23)26(24,25)21-9-4-3-5-10-21/h11-12,19H,3-10H2,1-2H3,(H,22,23)

InChI Key

MRLCMERBNASOFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04209454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.93

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

2.469

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-3.29

Polar Surface Area

73.873

Acid Dissociation Constant (pKa)

2.98

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

6228-0918 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0918?
Check Price and Availability of 6228-0918, 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 6228-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0918
  • 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 6228-0918 available by request