H025-0247C Screening compound: ethyl 4-[(8-fluoro-2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)methyl]benzoate

H025-0247C Screening compound: ethyl 4-[(8-fluoro-2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)methyl]benzoate
H025-0247C Screening compound: ethyl 4-[(8-fluoro-2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0247C
ethyl 4-[(8-fluoro-2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)methyl]benzoate

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

H025-0247C

Molecular Formula

C22H23FN2O2 (C22 H23 FN2 O2)

Compound Name

ethyl 4-[(8-fluoro-2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)methyl]benzoate

IUPAC name

ethyl 4-({8-fluoro-2-methyl-1H2H3H4H5H-pyrido[43-b]indol-5-yl}methyl)benzoate

SMILES

CCOC(c1ccc(Cn2c(ccc(F)c3)c3c3c2CCN(C)C3)cc1)=O

InChI

InChI=1S/C22H23FN2O2/c1-3-27-22(26)16-6-4-15(5-7-16)13-25-20-9-8-17(23)12-18(20)19-14-24(2)11-10-21(19)25/h4-9,12H,3,10-11,13-14H2,1-2H3

InChI Key

RURBNFXDTDTSGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214527

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-4.29

Polar Surface Area

25.508

Acid Dissociation Constant (pKa)

27.48

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

H025-0247C in Drug Discovery

Included in Screening Libraries

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 H025-0247C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0247C?
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What is the minimum amount of H025-0247C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0247C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0247C
  • 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 H025-0247C available by request