F069-1537 Screening compound: N-butyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]propanamide

F069-1537 Screening compound: N-butyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]propanamide
F069-1537 Screening compound: N-butyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F069-1537
N-butyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]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

F069-1537

Molecular Formula

C18H22F3N3O2 (C18 H22 F3 N3 O2)

Compound Name

N-butyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]propanamide

IUPAC name

N-butyl-2-[67-dimethyl-2-oxo-3-(trifluoromethyl)-12-dihydroquinoxalin-1-yl]propanamide

SMILES

CCCCNC(C(C)N(c(cc(C)c(C)c1)c1N=C1C(F)(F)F)C1=O)=O

InChI

InChI=1S/C18H22F3N3O2/c1-5-6-7-22-16(25)12(4)24-14-9-11(3)10(2)8-13(14)23-15(17(24)26)18(19,20)21/h8-9,12H,5-7H2,1-4H3,(H,22,25)/t12-/m0/s1

InChI Key

OCKGINPOVUKGRQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14939833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.49

Polar Surface Area

47.589

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

F069-1537 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 F069-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F069-1537?
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What is the minimum amount of F069-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F069-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F069-1537
  • 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 F069-1537 available by request