G841-0072 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-dimethoxybenzamide

G841-0072 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-dimethoxybenzamide
G841-0072 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G841-0072
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-dimethoxybenzamide

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

G841-0072

Molecular Formula

C22H18N2O3S (C22 H18 N2 O3 S)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-dimethoxybenzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)phenyl]-23-dimethoxybenzamide

SMILES

COc1cccc(C(Nc(cc2)ccc2-c2nc(cccc3)c3s2)=O)c1OC

InChI

InChI=1S/C22H18N2O3S/c1-26-18-8-5-6-16(20(18)27-2)21(25)23-15-12-10-14(11-13-15)22-24-17-7-3-4-9-19(17)28-22/h3-13H,1-2H3,(H,23,25)

InChI Key

KZVRXIDIIIIVFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08010350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-4.65

Polar Surface Area

48.126

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G841-0072 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G841-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G841-0072?
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What is the minimum amount of G841-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G841-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G841-0072
  • 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 G841-0072 available by request