C300-0169 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C300-0169 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
C300-0169 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0169
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-[4-(4-fluorophenyl)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

C300-0169

Molecular Formula

C25H27BrFN3O4S (C25 H27 BrFN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCS(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C25H27BrFN3O4S/c26-21-15-18-7-9-30(25(32)17-1-2-17)22(18)16-23(21)35(33,34)14-8-24(31)29-12-10-28(11-13-29)20-5-3-19(27)4-6-20/h3-6,15-17H,1-2,7-14H2

InChI Key

IJDHZPWORTVDDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.48

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

3.375

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.80

Polar Surface Area

64.858

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C300-0169 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C300-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0169?
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What is the minimum amount of C300-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0169
  • 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 C300-0169 available by request