G841-0105 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(propane-2-sulfonyl)benzamide

G841-0105 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(propane-2-sulfonyl)benzamide
G841-0105 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(propane-2-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G841-0105
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(propane-2-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

G841-0105

Molecular Formula

C23H20N2O3S2 (C23 H20 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)S(c(cc1)ccc1C(Nc(cc1)ccc1-c1nc(cccc2)c2s1)=O)(=O)=O

InChI

InChI=1S/C23H20N2O3S2/c1-15(2)30(27,28)19-13-9-16(10-14-19)22(26)24-18-11-7-17(8-12-18)23-25-20-5-3-4-6-21(20)29-23/h3-15H,1-2H3,(H,24,26)

InChI Key

KKTHBTRVVZARIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08338562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-4.64

Polar Surface Area

62.551

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G841-0105 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G841-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G841-0105?
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What is the minimum amount of G841-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G841-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G841-0105
  • 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 G841-0105 available by request