V016-6659 Screening compound: N-(3-chloro-4-methylphenyl)-4-{3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide

V016-6659 Screening compound: N-(3-chloro-4-methylphenyl)-4-{3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
V016-6659 Screening compound: N-(3-chloro-4-methylphenyl)-4-{3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6659
N-(3-chloro-4-methylphenyl)-4-{3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide

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

V016-6659

Molecular Formula

C28H32ClN7O (C28 H32 ClN7 O)

Compound Name

N-(3-chloro-4-methylphenyl)-4-{3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-4-{3-methyl-1-phenyl-6-propyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-14-diazepane-1-carboxamide

SMILES

CCCc1nc(n(-c2ccccc2)nc2C)c2c(N(CCC2)CCN2C(Nc2cc(Cl)c(C)cc2)=O)n1

InChI

InChI=1S/C28H32ClN7O/c1-4-9-24-31-26(25-20(3)33-36(27(25)32-24)22-10-6-5-7-11-22)34-14-8-15-35(17-16-34)28(37)30-21-13-12-19(2)23(29)18-21/h5-7,10-13,18H,4,8-9,14-17H2,1-3H3,(H,30,37)

InChI Key

WOAUVCKLXAGWTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853817

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.564

Distribution Coefficient, logD

6.120

Water Solubility, LogSw

-6.20

Polar Surface Area

63.574

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

References: we are preparing a list of scientific research reports with V016-6659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6659?
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What is the minimum amount of V016-6659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6659
  • 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 V016-6659 available by request