C300-0085 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C300-0085 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
C300-0085 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0085
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(2-methoxyphenyl)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

C300-0085

Molecular Formula

C26H30BrN3O5S (C26 H30 BrN3 O5 S)

Compound Name

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

IUPAC name

3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(CCS(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O)=O

InChI

InChI=1S/C26H30BrN3O5S/c1-35-23-5-3-2-4-21(23)28-11-13-29(14-12-28)25(31)9-15-36(33,34)24-17-22-19(16-20(24)27)8-10-30(22)26(32)18-6-7-18/h2-5,16-18H,6-15H2,1H3

InChI Key

JGVYXRCITLBLJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.225

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.63

Polar Surface Area

72.187

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

C300-0085 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 C300-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0085?
Check Price and Availability of C300-0085, 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 C300-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0085
  • 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 C300-0085 available by request