C730-0623 Screening compound: 2-(1,2-dimethyl-1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide

C730-0623 Screening compound: 2-(1,2-dimethyl-1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide
C730-0623 Screening compound: 2-(1,2-dimethyl-1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C730-0623
2-(1,2-dimethyl-1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide

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

C730-0623

Molecular Formula

C26H21N3O2S (C26 H21 N3 O2 S)

Compound Name

2-(1,2-dimethyl-1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide

IUPAC name

2-(12-dimethyl-1H-indol-3-yl)-N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]-2-oxoacetamide

SMILES

Cc1c(C(C(Nc(cc2)ccc2-c2nc(ccc(C)c3)c3s2)=O)=O)c(cccc2)c2n1C

InChI

InChI=1S/C26H21N3O2S/c1-15-8-13-20-22(14-15)32-26(28-20)17-9-11-18(12-10-17)27-25(31)24(30)23-16(2)29(3)21-7-5-4-6-19(21)23/h4-14H,1-3H3,(H,27,31)

InChI Key

IHSJSGQITVDQBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.613

Distribution Coefficient, logD

5.613

Water Solubility, LogSw

-5.70

Polar Surface Area

48.799

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C730-0623 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C730-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C730-0623?
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What is the minimum amount of C730-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C730-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C730-0623
  • 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 C730-0623 available by request