8013-3739 Screening compound: 6-METHYL-2-MORPHOLINO-2-(TRIFLUOROMETHYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE

8013-3739 Screening compound: 6-METHYL-2-MORPHOLINO-2-(TRIFLUOROMETHYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE
8013-3739 Screening compound: 6-METHYL-2-MORPHOLINO-2-(TRIFLUOROMETHYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3739
6-METHYL-2-MORPHOLINO-2-(TRIFLUOROMETHYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE

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

8013-3739

Molecular Formula

C14H15F3N2O3 (C14 H15 F3 N2 O3)

Compound Name

6-METHYL-2-MORPHOLINO-2-(TRIFLUOROMETHYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE

IUPAC name

n/a

SMILES

Cc(cc1)cc(NC2=O)c1OC2(C(F)(F)F)N1CCOCC1

InChI

InChI=1S/C14H15F3N2O3/c1-9-2-3-11-10(8-9)18-12(20)13(22-11,14(15,16)17)19-4-6-21-7-5-19/h2-3,8H,4-7H2,1H3,(H,18,20)/t13-/m1/s1

InChI Key

NTUPXCFLOOSZKT-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.177

Distribution Coefficient, logD

2.177

Water Solubility, LogSw

-2.93

Polar Surface Area

42.949

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8013-3739 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-3739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3739?
Check Price and Availability of 8013-3739, 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 8013-3739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3739
  • 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 8013-3739 available by request