V010-0066 Screening compound: 4-({5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-1-[4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-1-yl]butan-1-one

V010-0066 Screening compound: 4-({5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-1-[4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-1-yl]butan-1-one
V010-0066 Screening compound: 4-({5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-1-[4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-1-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0066
4-({5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-1-[4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-1-yl]butan-1-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

V010-0066

Molecular Formula

C35H38N6O4S (C35 H38 N6 O4 S)

Compound Name

4-({5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-1-[4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-1-yl]butan-1-one

IUPAC name

4-({5-benzyl-8-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-1-[4-(35-dimethoxybenzoyl)-3-methylpiperazin-1-yl]butan-1-one

SMILES

CC(CN(CC1)C(CCCSc2nnc(c(cc(C)cc3)c3n3Cc4ccccc4)c3n2)=O)N1C(c1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C35H38N6O4S/c1-23-12-13-30-29(17-23)32-33(41(30)22-25-9-6-5-7-10-25)36-35(38-37-32)46-16-8-11-31(42)39-14-15-40(24(2)21-39)34(43)26-18-27(44-3)20-28(19-26)45-4/h5-7,9-10,12-13,17-20,24H,8,11,14-16,21-22H2,1-4H3/t24-/m0/s1

InChI Key

SRFZRFOZHHPWSL-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14238431

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

638.79

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.656

Distribution Coefficient, logD

5.656

Water Solubility, LogSw

-5.44

Polar Surface Area

79.861

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.30

References: we are preparing a list of scientific research reports with V010-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0066?
Check Price and Availability of V010-0066, 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 V010-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0066
  • 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 V010-0066 available by request