V006-6162 Screening compound: 6-(2-methylbutan-2-yl)-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

V006-6162 Screening compound: 6-(2-methylbutan-2-yl)-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
V006-6162 Screening compound: 6-(2-methylbutan-2-yl)-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6162
6-(2-methylbutan-2-yl)-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-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

V006-6162

Molecular Formula

C32H34F3N3O3 (C32 H34 F3 N3 O3)

Compound Name

6-(2-methylbutan-2-yl)-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-(2-methylbutan-2-yl)-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCC(C)(C)c(cc1)cc(N2Cc(cc3)ccc3C(N(CC3)CCN3c3cccc(C(F)(F)F)c3)=O)c1OCC2=O

InChI

InChI=1S/C32H34F3N3O3/c1-4-31(2,3)24-12-13-28-27(19-24)38(29(39)21-41-28)20-22-8-10-23(11-9-22)30(40)37-16-14-36(15-17-37)26-7-5-6-25(18-26)32(33,34)35/h5-13,18-19H,4,14-17,20-21H2,1-3H3

InChI Key

YXACOLQEPYPBBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19771771

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

565.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.080

Distribution Coefficient, logD

6.080

Water Solubility, LogSw

-5.61

Polar Surface Area

43.977

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V006-6162 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-6162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6162?
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What is the minimum amount of V006-6162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6162
  • 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 V006-6162 available by request