G841-0059 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide

G841-0059 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide
G841-0059 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G841-0059
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2-methylpiperidin-1-yl)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

G841-0059

Molecular Formula

C26H25N3O3S2 (C26 H25 N3 O3 S2)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)phenyl]-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide

SMILES

CC(CCCC1)N1S(c(cc1)ccc1C(Nc(cc1)ccc1-c1nc(cccc2)c2s1)=O)(=O)=O

InChI

InChI=1S/C26H25N3O3S2/c1-18-6-4-5-17-29(18)34(31,32)22-15-11-19(12-16-22)25(30)27-21-13-9-20(10-14-21)26-28-23-7-2-3-8-24(23)33-26/h2-3,7-16,18H,4-6,17H2,1H3,(H,27,30)/t18-/m0/s1

InChI Key

XWMKZELVWJZPNQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04425200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.454

Distribution Coefficient, logD

5.454

Water Solubility, LogSw

-5.37

Polar Surface Area

64.551

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

G841-0059 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G841-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G841-0059?
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What is the minimum amount of G841-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G841-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G841-0059
  • 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 G841-0059 available by request