F069-0624 Screening compound: 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]-N-ethyl-N-phenylbutanamide

F069-0624 Screening compound: 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]-N-ethyl-N-phenylbutanamide
F069-0624 Screening compound: 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]-N-ethyl-N-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F069-0624
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]-N-ethyl-N-phenylbutanamide

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

F069-0624

Molecular Formula

C23H24F3N3O2 (C23 H24 F3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N(CC)c1ccccc1)=O)N(c(cc(C)c(C)c1)c1N=C1C(F)(F)F)C1=O

InChI

InChI=1S/C23H24F3N3O2/c1-5-18(21(30)28(6-2)16-10-8-7-9-11-16)29-19-13-15(4)14(3)12-17(19)27-20(22(29)31)23(24,25)26/h7-13,18H,5-6H2,1-4H3/t18-/m0/s1

InChI Key

RJJBVUCIWZEJNW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27098443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.726

Distribution Coefficient, logD

4.726

Water Solubility, LogSw

-4.55

Polar Surface Area

37.994

Acid Dissociation Constant (pKa)

19.19

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

F069-0624 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 F069-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F069-0624?
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What is the minimum amount of F069-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F069-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F069-0624
  • 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 F069-0624 available by request