C648-0022 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

C648-0022 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
C648-0022 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0022
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

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

C648-0022

Molecular Formula

C23H24N4O6S2 (C23 H24 N4 O6 S2)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-1-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(C(CCC1)CN1S(c(cc1)cc(O3)c1N(C)C3=O)(=O)=O)=O)s2

InChI

InChI=1S/C23H24N4O6S2/c1-3-32-15-6-8-17-20(11-15)34-22(24-17)25-21(28)14-5-4-10-27(13-14)35(30,31)16-7-9-18-19(12-16)33-23(29)26(18)2/h6-9,11-12,14H,3-5,10,13H2,1-2H3,(H,24,25,28)/t14-/m0/s1

InChI Key

NIRXIVRAJQCJDC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14779100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-4.06

Polar Surface Area

94.725

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C648-0022 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C648-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0022?
Check Price and Availability of C648-0022, 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 C648-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0022
  • 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 C648-0022 available by request