C300-0034 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

C300-0034 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
C300-0034 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0034
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

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

C300-0034

Molecular Formula

C24H24BrN3O5S2 (C24 H24 BrN3 O5 S2)

Compound Name

3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

IUPAC name

3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-(6-ethoxy-13-benzothiazol-2-yl)propanamide

SMILES

CCOc(cc1)cc2c1nc(NC(CCS(c(cc(c(CC1)c3)N1C(C1CC1)=O)c3Br)(=O)=O)=O)s2

InChI

InChI=1S/C24H24BrN3O5S2/c1-2-33-16-5-6-18-20(12-16)34-24(26-18)27-22(29)8-10-35(31,32)21-13-19-15(11-17(21)25)7-9-28(19)23(30)14-3-4-14/h5-6,11-14H,2-4,7-10H2,1H3,(H,26,27,29)

InChI Key

NTSIRBJJHAURNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.619

Water Solubility, LogSw

-4.35

Polar Surface Area

85.239

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C300-0034 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C300-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0034?
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What is the minimum amount of C300-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0034
  • 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 C300-0034 available by request