2291-1618 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(piperidine-1-sulfonyl)benzamide

2291-1618 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(piperidine-1-sulfonyl)benzamide
2291-1618 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(piperidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2291-1618
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(piperidine-1-sulfonyl)benzamide

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

2291-1618

Molecular Formula

C21H25N3O4S2 (C21 H25 N3 O4 S2)

Compound Name

N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(piperidine-1-sulfonyl)benzamide

IUPAC name

N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)-4-(piperidine-1-sulfonyl)benzamide

SMILES

CC(C)(Cc1c2sc(NC(c(cc3)ccc3S(N3CCCCC3)(=O)=O)=O)n1)CC2=O

InChI

InChI=1S/C21H25N3O4S2/c1-21(2)12-16-18(17(25)13-21)29-20(22-16)23-19(26)14-6-8-15(9-7-14)30(27,28)24-10-4-3-5-11-24/h6-9H,3-5,10-13H2,1-2H3,(H,22,23,26)

InChI Key

MHNNZXBWSBVAFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-3.86

Polar Surface Area

79.756

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

2291-1618 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2291-1618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2291-1618?
Check Price and Availability of 2291-1618, 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 2291-1618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2291-1618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2291-1618
  • 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 2291-1618 available by request