H025-0689C Screening compound: 3-{8-fluoro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}-N-methylpropanamide

H025-0689C Screening compound: 3-{8-fluoro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}-N-methylpropanamide
H025-0689C Screening compound: 3-{8-fluoro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0689C
3-{8-fluoro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}-N-methylpropanamide

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

H025-0689C

Molecular Formula

C16H20FN3O (C16 H20 FN3 O)

Compound Name

3-{8-fluoro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}-N-methylpropanamide

IUPAC name

3-{8-fluoro-2-methyl-1H2H3H4H5H-pyrido[43-b]indol-5-yl}-N-methylpropanamide

SMILES

CNC(CCn1c(ccc(F)c2)c2c2c1CCN(C)C2)=O

InChI

InChI=1S/C16H20FN3O/c1-18-16(21)6-8-20-14-4-3-11(17)9-12(14)13-10-19(2)7-5-15(13)20/h3-4,9H,5-8,10H2,1-2H3,(H,18,21)

InChI Key

KWILIKBJULKDED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214659

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

289.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.325

Distribution Coefficient, logD

-2.471

Water Solubility, LogSw

-2.35

Polar Surface Area

29.626

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

11.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

H025-0689C in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with H025-0689C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0689C?
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What is the minimum amount of H025-0689C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0689C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0689C
  • 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 H025-0689C available by request