C300-0103 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one

C300-0103 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one
C300-0103 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0103
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one

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

C300-0103

Molecular Formula

C27H32BrN3O4S (C27 H32 BrN3 O4 S)

Compound Name

3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(25-dimethylphenyl)piperazin-1-yl]propan-1-one

SMILES

Cc1cc(N(CC2)CCN2C(CCS(c(cc(c(CC2)c3)N2C(C2CC2)=O)c3Br)(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C27H32BrN3O4S/c1-18-3-4-19(2)23(15-18)29-10-12-30(13-11-29)26(32)8-14-36(34,35)25-17-24-21(16-22(25)28)7-9-31(24)27(33)20-5-6-20/h3-4,15-17,20H,5-14H2,1-2H3

InChI Key

VXRHGFDDLZTEHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.32

Polar Surface Area

64.557

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.15

C300-0103 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C300-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0103?
Check Price and Availability of C300-0103, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C300-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0103
  • 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 C300-0103 available by request