8011-1720 Screening compound: methyl 2-(4-chlorophenyl)-6-(morpholin-4-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate

8011-1720 Screening compound: methyl 2-(4-chlorophenyl)-6-(morpholin-4-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
8011-1720 Screening compound: methyl 2-(4-chlorophenyl)-6-(morpholin-4-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1720
methyl 2-(4-chlorophenyl)-6-(morpholin-4-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-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

8011-1720

Molecular Formula

C16H15ClF3N3O4 (C16 H15 ClF3 N3 O4)

Compound Name

methyl 2-(4-chlorophenyl)-6-(morpholin-4-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate

IUPAC name

methyl 2-(4-chlorophenyl)-6-(morpholin-4-yl)-4-(trifluoromethyl)-4H-135-oxadiazine-4-carboxylate

SMILES

COC(C1(C(F)(F)F)N=C(N2CCOCC2)OC(c(cc2)ccc2Cl)=N1)=O

InChI

InChI=1S/C16H15ClF3N3O4/c1-25-13(24)15(16(18,19)20)21-12(10-2-4-11(17)5-3-10)27-14(22-15)23-6-8-26-9-7-23/h2-5H,6-9H2,1H3/t15-/m1/s1

InChI Key

AKOIHZGGBPWEKS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02324955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-3.32

Polar Surface Area

59.435

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

8011-1720 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-1720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1720?
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What is the minimum amount of 8011-1720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1720
  • 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 8011-1720 available by request