7706-1022 Screening compound: ethyl 4-{[(4-chlorophenyl)methyl]amino}-2-(trifluoromethyl)quinazoline-6-carboxylate

7706-1022 Screening compound: ethyl 4-{[(4-chlorophenyl)methyl]amino}-2-(trifluoromethyl)quinazoline-6-carboxylate
7706-1022 Screening compound: ethyl 4-{[(4-chlorophenyl)methyl]amino}-2-(trifluoromethyl)quinazoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-1022
ethyl 4-{[(4-chlorophenyl)methyl]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

7706-1022

Molecular Formula

C19H15ClF3N3O2 (C19 H15 ClF3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc12)ccc2nc(C(F)(F)F)nc1NCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H15ClF3N3O2/c1-2-28-17(27)12-5-8-15-14(9-12)16(26-18(25-15)19(21,22)23)24-10-11-3-6-13(20)7-4-11/h3-9H,2,10H2,1H3,(H,24,25,26)

InChI Key

FJCFBASFHSORKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.8

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

5.453

Distribution Coefficient, logD

5.453

Water Solubility, LogSw

-6.07

Polar Surface Area

50.153

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7706-1022 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 7706-1022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-1022?
Check Price and Availability of 7706-1022, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7706-1022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-1022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-1022
  • 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 7706-1022 available by request