V028-5535 Screening compound: N6-(2-methoxyethyl)-2-phenyl-4-(thiophen-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V028-5535 Screening compound: N6-(2-methoxyethyl)-2-phenyl-4-(thiophen-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V028-5535 Screening compound: N6-(2-methoxyethyl)-2-phenyl-4-(thiophen-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5535
N6-(2-methoxyethyl)-2-phenyl-4-(thiophen-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

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

V028-5535

Molecular Formula

C18H18N6OS (C18 H18 N6 OS)

Compound Name

N6-(2-methoxyethyl)-2-phenyl-4-(thiophen-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

N6-(2-methoxyethyl)-2-phenyl-4-(thiophen-2-yl)-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

COCCNc(nc(-c1cccs1)c1c2N)nc1nn2-c1ccccc1

InChI

InChI=1S/C18H18N6OS/c1-25-10-9-20-18-21-15(13-8-5-11-26-13)14-16(19)24(23-17(14)22-18)12-6-3-2-4-7-12/h2-8,11H,9-10,19H2,1H3,(H,20,22,23)

InChI Key

XKLOSFJPGBMHLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248953

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

366.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.86

Polar Surface Area

74.284

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V028-5535 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V028-5535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5535?
Check Price and Availability of V028-5535, 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 V028-5535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5535
  • 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 V028-5535 available by request