V010-0088 Screening compound: 4-({5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-1-{4-[2-(benzyloxy)acetyl]-3-methylpiperazin-1-yl}butan-1-one

V010-0088 Screening compound: 4-({5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-1-{4-[2-(benzyloxy)acetyl]-3-methylpiperazin-1-yl}butan-1-one
V010-0088 Screening compound: 4-({5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-1-{4-[2-(benzyloxy)acetyl]-3-methylpiperazin-1-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0088
4-({5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-1-{4-[2-(benzyloxy)acetyl]-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

V010-0088

Molecular Formula

C35H38N6O3S (C35 H38 N6 O3 S)

Compound Name

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

SMILES

CC(CN(CC1)C(CCCSc2nnc(c(cc(C)cc3)c3n3Cc4ccccc4)c3n2)=O)N1C(COCc1ccccc1)=O

InChI

InChI=1S/C35H38N6O3S/c1-25-15-16-30-29(20-25)33-34(41(30)22-27-10-5-3-6-11-27)36-35(38-37-33)45-19-9-14-31(42)39-17-18-40(26(2)21-39)32(43)24-44-23-28-12-7-4-8-13-28/h3-8,10-13,15-16,20,26H,9,14,17-19,21-24H2,1-2H3/t26-/m0/s1

InChI Key

GGBPZBKRADIDIK-SANMLTNESA-N

MDL Number (MFCD)

MFCD14238441

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

622.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.28

Polar Surface Area

72.681

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.30

V010-0088 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V010-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0088?
Check Price and Availability of V010-0088, 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 V010-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0088
  • 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 V010-0088 available by request