V018-7836 Screening compound: 8-({4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}sulfonyl)quinoline

V018-7836 Screening compound: 8-({4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}sulfonyl)quinoline
V018-7836 Screening compound: 8-({4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}sulfonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7836
8-({4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}sulfonyl)quinoline

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

V018-7836

Molecular Formula

C30H33N7O2S (C30 H33 N7 O2 S)

Compound Name

8-({4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}sulfonyl)quinoline

IUPAC name

8-({4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}sulfonyl)quinoline

SMILES

CC(C)Cc1nc(n(-c2ccccc2)nc2C)c2c(N(CCC2)CCN2S(c2cccc3cccnc23)(=O)=O)n1

InChI

InChI=1S/C30H33N7O2S/c1-21(2)20-26-32-29(27-22(3)34-37(30(27)33-26)24-12-5-4-6-13-24)35-16-9-17-36(19-18-35)40(38,39)25-14-7-10-23-11-8-15-31-28(23)25/h4-8,10-15,21H,9,16-20H2,1-3H3

InChI Key

SYPLGRCCIPIRQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19856913

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

555.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-5.12

Polar Surface Area

79.349

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V018-7836 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V018-7836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7836?
Check Price and Availability of V018-7836, 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 V018-7836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7836
  • 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 V018-7836 available by request