7706-1023 Screening compound: ethyl 4-{[2-(4-methoxyphenyl)ethyl]amino}-2-(trifluoromethyl)quinazoline-6-carboxylate

7706-1023 Screening compound: ethyl 4-{[2-(4-methoxyphenyl)ethyl]amino}-2-(trifluoromethyl)quinazoline-6-carboxylate
7706-1023 Screening compound: ethyl 4-{[2-(4-methoxyphenyl)ethyl]amino}-2-(trifluoromethyl)quinazoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-1023
ethyl 4-{[2-(4-methoxyphenyl)ethyl]amino}-2-(trifluoromethyl)quinazoline-6-carboxylate

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

7706-1023

Molecular Formula

C21H20F3N3O3 (C21 H20 F3 N3 O3)

Compound Name

ethyl 4-{[2-(4-methoxyphenyl)ethyl]amino}-2-(trifluoromethyl)quinazoline-6-carboxylate

IUPAC name

ethyl 4-{[2-(4-methoxyphenyl)ethyl]amino}-2-(trifluoromethyl)quinazoline-6-carboxylate

SMILES

CCOC(c(cc12)ccc2nc(C(F)(F)F)nc1NCCc(cc1)ccc1OC)=O

InChI

InChI=1S/C21H20F3N3O3/c1-3-30-19(28)14-6-9-17-16(12-14)18(27-20(26-17)21(22,23)24)25-11-10-13-4-7-15(29-2)8-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,25,26,27)

InChI Key

HVUZABFCOLEYRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.197

Distribution Coefficient, logD

5.197

Water Solubility, LogSw

-5.15

Polar Surface Area

57.538

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

7706-1023 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7706-1023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-1023?
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What is the minimum amount of 7706-1023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-1023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-1023
  • 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 7706-1023 available by request