V006-1431 Screening compound: 1-[1-benzyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-3-carbonyl]azocane

V006-1431 Screening compound: 1-[1-benzyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-3-carbonyl]azocane
V006-1431 Screening compound: 1-[1-benzyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-3-carbonyl]azocane alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1431
1-[1-benzyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-3-carbonyl]azocane

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

V006-1431

Molecular Formula

C25H26N4OS (C25 H26 N4 OS)

Compound Name

1-[1-benzyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-3-carbonyl]azocane

IUPAC name

1-[1-benzyl-4-(thiophen-2-yl)-1H-pyrazolo[34-b]pyridine-3-carbonyl]azocane

SMILES

O=C(c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12)N1CCCCCCC1

InChI

InChI=1S/C25H26N4OS/c30-25(28-15-7-2-1-3-8-16-28)23-22-20(21-12-9-17-31-21)13-14-26-24(22)29(27-23)18-19-10-5-4-6-11-19/h4-6,9-14,17H,1-3,7-8,15-16,18H2

InChI Key

XSOCKRBAOCYORM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953567

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.036

Distribution Coefficient, logD

5.036

Water Solubility, LogSw

-4.94

Polar Surface Area

41.850

Acid Dissociation Constant (pKa)

25.35

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V006-1431 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-1431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1431?
Check Price and Availability of V006-1431, 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 V006-1431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1431
  • 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 V006-1431 available by request