V006-3766 Screening compound: 10-chloro-N-(2,4-dibromo-6-fluorophenyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide

V006-3766 Screening compound: 10-chloro-N-(2,4-dibromo-6-fluorophenyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
V006-3766 Screening compound: 10-chloro-N-(2,4-dibromo-6-fluorophenyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3766
10-chloro-N-(2,4-dibromo-6-fluorophenyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide

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

V006-3766

Molecular Formula

C19H15Br2ClFN3O2 (C19 H15 Br2 ClFN3 O2)

Compound Name

10-chloro-N-(2,4-dibromo-6-fluorophenyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide

IUPAC name

10-chloro-N-(24-dibromo-6-fluorophenyl)-4-oxo-1H2H3H4H6H7H11bH-pyrazino[21-a]isoquinoline-2-carboxamide

SMILES

O=C(Nc(c(F)cc(Br)c1)c1Br)N(CC1N2CCc(cc3)c1cc3Cl)CC2=O

InChI

InChI=1S/C19H15Br2ClFN3O2/c20-11-5-14(21)18(15(23)6-11)24-19(28)25-8-16-13-7-12(22)2-1-10(13)3-4-26(16)17(27)9-25/h1-2,5-7,16H,3-4,8-9H2,(H,24,28)/t16-/m1/s1

InChI Key

MTFHHSKLJGVORR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19945734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.779

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-4.91

Polar Surface Area

40.420

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with V006-3766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3766?
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What is the minimum amount of V006-3766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3766
  • 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 V006-3766 available by request