8012-7737 Screening compound: ethyl 2-{[4-(morpholin-4-yl)-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl]amino}acetate

8012-7737 Screening compound: ethyl 2-{[4-(morpholin-4-yl)-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl]amino}acetate
8012-7737 Screening compound: ethyl 2-{[4-(morpholin-4-yl)-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7737
ethyl 2-{[4-(morpholin-4-yl)-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl]amino}acetate

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

8012-7737

Molecular Formula

C18H21F3N6O3 (C18 H21 F3 N6 O3)

Compound Name

ethyl 2-{[4-(morpholin-4-yl)-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl]amino}acetate

IUPAC name

ethyl 2-{[4-(morpholin-4-yl)-6-{[3-(trifluoromethyl)phenyl]amino}-135-triazin-2-yl]amino}acetate

SMILES

CCOC(CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1)=O

InChI

InChI=1S/C18H21F3N6O3/c1-2-30-14(28)11-22-15-24-16(26-17(25-15)27-6-8-29-9-7-27)23-13-5-3-4-12(10-13)18(19,20)21/h3-5,10H,2,6-9,11H2,1H3,(H2,22,23,24,25,26)

InChI Key

SYFKFDTZOFECMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.478

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.23

Polar Surface Area

82.238

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8012-7737 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-7737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7737?
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What is the minimum amount of 8012-7737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7737
  • 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 8012-7737 available by request