V006-7774 Screening compound: 3-[(6-ACETYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)METHYL]-N-[5-(DIETHYLAMINO)PENTAN-2-YL]BENZAMIDE

V006-7774 Screening compound: 3-[(6-ACETYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)METHYL]-N-[5-(DIETHYLAMINO)PENTAN-2-YL]BENZAMIDE
V006-7774 Screening compound: 3-[(6-ACETYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)METHYL]-N-[5-(DIETHYLAMINO)PENTAN-2-YL]BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-7774
3-[(6-ACETYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)METHYL]-N-[5-(DIETHYLAMINO)PENTAN-2-YL]BENZAMIDE

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

V006-7774

Molecular Formula

C27H35N3O4 (C27 H35 N3 O4)

Compound Name

3-[(6-ACETYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)METHYL]-N-[5-(DIETHYLAMINO)PENTAN-2-YL]BENZAMIDE

IUPAC name

3-[(6-acetyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)methyl]-N-[5-(diethylamino)pentan-2-yl]benzamide

SMILES

CCN(CC)CCCC(C)NC(c1cccc(CN2c(cc(cc3)C(C)=O)c3OCC2=O)c1)=O

InChI

InChI=1S/C27H35N3O4/c1-5-29(6-2)14-8-9-19(3)28-27(33)23-11-7-10-21(15-23)17-30-24-16-22(20(4)31)12-13-25(24)34-18-26(30)32/h7,10-13,15-16,19H,5-6,8-9,14,17-18H2,1-4H3,(H,28,33)/t19-/m0/s1

InChI Key

RIENUXMOBSMJQU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19773202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.669

Distribution Coefficient, logD

-0.466

Water Solubility, LogSw

-2.97

Polar Surface Area

65.432

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

10.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V006-7774 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V006-7774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-7774?
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What is the minimum amount of V006-7774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-7774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-7774
  • 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 V006-7774 available by request