V006-0340 Screening compound: 2-[(4-{4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl}piperazin-1-yl)methyl]-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one

V006-0340 Screening compound: 2-[(4-{4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl}piperazin-1-yl)methyl]-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
V006-0340 Screening compound: 2-[(4-{4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl}piperazin-1-yl)methyl]-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0340
2-[(4-{4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl}piperazin-1-yl)methyl]-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-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

V006-0340

Molecular Formula

C28H30ClN5O4 (C28 H30 ClN5 O4)

Compound Name

2-[(4-{4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl}piperazin-1-yl)methyl]-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one

IUPAC name

2-[(4-{4-chloro-13-dimethyl-1H-pyrazolo[34-b]pyridine-5-carbonyl}piperazin-1-yl)methyl]-5-[(35-dimethylphenyl)methoxy]-4H-pyran-4-one

SMILES

Cc1nn(C)c(nc2)c1c(Cl)c2C(N1CCN(CC(OC=C2OCc3cc(C)cc(C)c3)=CC2=O)CC1)=O

InChI

InChI=1S/C28H30ClN5O4/c1-17-9-18(2)11-20(10-17)15-38-24-16-37-21(12-23(24)35)14-33-5-7-34(8-6-33)28(36)22-13-30-27-25(26(22)29)19(3)31-32(27)4/h9-13,16H,5-8,14-15H2,1-4H3

InChI Key

WKRMJTDNKSMHMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945767

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.64

Polar Surface Area

74.678

Acid Dissociation Constant (pKa)

27.79

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V006-0340 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0340?
Check Price and Availability of V006-0340, 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 V006-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0340
  • 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 V006-0340 available by request