V021-6925 Screening compound: N~1~-(tert-butyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide

V021-6925 Screening compound: N~1~-(tert-butyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide
V021-6925 Screening compound: N~1~-(tert-butyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6925
N~1~-(tert-butyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-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

V021-6925

Molecular Formula

C24H27F3N4O3 (C24 H27 F3 N4 O3)

Compound Name

N~1~-(tert-butyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

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

SMILES

CC(C)(C)NC(N(CC1)CCN1C1=Nc(cc(C(F)(F)F)cc2)c2Oc(cc2)c1cc2OC)=O

InChI

InChI=1S/C24H27F3N4O3/c1-23(2,3)29-22(32)31-11-9-30(10-12-31)21-17-14-16(33-4)6-8-19(17)34-20-7-5-15(24(25,26)27)13-18(20)28-21/h5-8,13-14H,9-12H2,1-4H3,(H,29,32)

InChI Key

VLQLLXXMYWHTSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283932

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.5

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

4.641

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-4.43

Polar Surface Area

51.500

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

V021-6925 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V021-6925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6925?
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What is the minimum amount of V021-6925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6925
  • 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 V021-6925 available by request