D704-1019 Screening compound: 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinolin-2-amine

D704-1019 Screening compound: 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinolin-2-amine
D704-1019 Screening compound: 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D704-1019
6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinolin-2-amine

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

D704-1019

Molecular Formula

C21H17F3N4O (C21 H17 F3 N4 O)

Compound Name

6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinolin-2-amine

IUPAC name

6-methyl-3-(5-methyl-124-oxadiazol-3-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinolin-2-amine

SMILES

Cc1nc(-c2cc3cc(C)ccc3nc2NCc2ccc(C(F)(F)F)cc2)no1

InChI

InChI=1S/C21H17F3N4O/c1-12-3-8-18-15(9-12)10-17(20-26-13(2)29-28-20)19(27-18)25-11-14-4-6-16(7-5-14)21(22,23)24/h3-10H,11H2,1-2H3,(H,25,27)

InChI Key

KOMXOVOQWNFQJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.632

Distribution Coefficient, logD

4.721

Water Solubility, LogSw

-5.83

Polar Surface Area

50.349

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D704-1019 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D704-1019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D704-1019?
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What is the minimum amount of D704-1019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D704-1019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D704-1019
  • 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 D704-1019 available by request