C300-0084 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methoxyphenyl)methyl]propanamide

C300-0084 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methoxyphenyl)methyl]propanamide
C300-0084 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0084
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methoxyphenyl)methyl]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

C300-0084

Molecular Formula

C23H25BrN2O5S (C23 H25 BrN2 O5 S)

Compound Name

3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methoxyphenyl)methyl]propanamide

IUPAC name

3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methoxyphenyl)methyl]propanamide

SMILES

COc1ccc(CNC(CCS(c(cc(c(CC2)c3)N2C(C2CC2)=O)c3Br)(=O)=O)=O)cc1

InChI

InChI=1S/C23H25BrN2O5S/c1-31-18-6-2-15(3-7-18)14-25-22(27)9-11-32(29,30)21-13-20-17(12-19(21)24)8-10-26(20)23(28)16-4-5-16/h2-3,6-7,12-13,16H,4-5,8-11,14H2,1H3,(H,25,27)

InChI Key

CKWSRMAGHWVXBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.63

Polar Surface Area

77.220

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

C300-0084 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C300-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0084?
Check Price and Availability of C300-0084, 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 C300-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0084
  • 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 C300-0084 available by request