V021-6893 Screening compound: N~1~-(3,4-difluorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyltetrahydro-1(2H)-pyrazinecarboxamide

V021-6893 Screening compound: N~1~-(3,4-difluorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyltetrahydro-1(2H)-pyrazinecarboxamide
V021-6893 Screening compound: N~1~-(3,4-difluorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6893
N~1~-(3,4-difluorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyltetrahydro-1(2H)-pyrazinecarboxamide

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

V021-6893

Molecular Formula

C27H23F5N4O3 (C27 H23 F5 N4 O3)

Compound Name

N~1~-(3,4-difluorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(34-difluorophenyl)-4-[13-methoxy-6-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl]-2-methylpiperazine-1-carboxamide

SMILES

CC(CN(CC1)C2=Nc(cc(C(F)(F)F)cc3)c3Oc(cc3)c2cc3OC)N1C(Nc(cc1)cc(F)c1F)=O

InChI

InChI=1S/C27H23F5N4O3/c1-15-14-35(9-10-36(15)26(37)33-17-4-6-20(28)21(29)12-17)25-19-13-18(38-2)5-8-23(19)39-24-7-3-16(27(30,31)32)11-22(24)34-25/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,33,37)/t15-/m0/s1

InChI Key

AOTYLTJVWARCDF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14283955

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.720

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-5.50

Polar Surface Area

50.301

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V021-6893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6893?
Check Price and Availability of V021-6893, 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 V021-6893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6893
  • 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 V021-6893 available by request