C700-2102 Screening compound: 3-cyclopentyl-1-[1-(4-fluorophenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]propan-1-one

C700-2102 Screening compound: 3-cyclopentyl-1-[1-(4-fluorophenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]propan-1-one
C700-2102 Screening compound: 3-cyclopentyl-1-[1-(4-fluorophenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2102
3-cyclopentyl-1-[1-(4-fluorophenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-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

C700-2102

Molecular Formula

C26H29FN2O2 (C26 H29 FN2 O2)

Compound Name

3-cyclopentyl-1-[1-(4-fluorophenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]propan-1-one

IUPAC name

3-cyclopentyl-1-[1-(4-fluorophenyl)-6-methoxy-1H2H3H4H9H-pyrido[34-b]indol-2-yl]propan-1-one

SMILES

COc(cc1)cc2c1[nH]c(C1c(cc3)ccc3F)c2CCN1C(CCC1CCCC1)=O

InChI

InChI=1S/C26H29FN2O2/c1-31-20-11-12-23-22(16-20)21-14-15-29(24(30)13-6-17-4-2-3-5-17)26(25(21)28-23)18-7-9-19(27)10-8-18/h7-12,16-17,26,28H,2-6,13-15H2,1H3/t26-/m1/s1

InChI Key

HSRBXZNQNXASFN-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14785812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.805

Distribution Coefficient, logD

5.805

Water Solubility, LogSw

-5.69

Polar Surface Area

33.646

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

C700-2102 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C700-2102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2102?
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What is the minimum amount of C700-2102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2102
  • 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 C700-2102 available by request