V003-2601 Screening compound: 1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-1-one

V003-2601 Screening compound: 1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-1-one
V003-2601 Screening compound: 1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2601
1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-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

V003-2601

Molecular Formula

C30H36N6O (C30 H36 N6 O)

Compound Name

1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-1-one

IUPAC name

1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-14-diazepan-1-yl)hexan-1-one

SMILES

CCCCCC(N(CCC1)CCN1c1nc(Cc2ccc(C)cc2)nc2c1cnn2-c1ccccc1)=O

InChI

InChI=1S/C30H36N6O/c1-3-4-6-12-28(37)34-17-9-18-35(20-19-34)29-26-22-31-36(25-10-7-5-8-11-25)30(26)33-27(32-29)21-24-15-13-23(2)14-16-24/h5,7-8,10-11,13-16,22H,3-4,6,9,12,17-21H2,1-2H3

InChI Key

NPIALGZHDZFJTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19860636

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.501

Distribution Coefficient, logD

6.490

Water Solubility, LogSw

-5.59

Polar Surface Area

53.872

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V003-2601 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 V003-2601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2601?
Check Price and Availability of V003-2601, 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 V003-2601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2601
  • 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 V003-2601 available by request