V016-8247 Screening compound: 1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)benzenesulfonyl]-1,4-diazepane

V016-8247 Screening compound: 1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)benzenesulfonyl]-1,4-diazepane
V016-8247 Screening compound: 1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)benzenesulfonyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8247
1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)benzenesulfonyl]-1,4-diazepane

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

V016-8247

Molecular Formula

C32H31F3N6O2S (C32 H31 F3 N6 O2 S)

Compound Name

1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)benzenesulfonyl]-1,4-diazepane

IUPAC name

1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)benzenesulfonyl]-14-diazepane

SMILES

Cc(c1c2nc(Cc3ccc(C)cc3)nc1N(CCC1)CCN1S(c1cc(C(F)(F)F)ccc1)(=O)=O)nn2-c1ccccc1

InChI

InChI=1S/C32H31F3N6O2S/c1-22-12-14-24(15-13-22)20-28-36-30(29-23(2)38-41(31(29)37-28)26-9-4-3-5-10-26)39-16-7-17-40(19-18-39)44(42,43)27-11-6-8-25(21-27)32(33,34)35/h3-6,8-15,21H,7,16-20H2,1-2H3

InChI Key

JKNWQZCJDAONKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19856954

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

620.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.780

Distribution Coefficient, logD

6.678

Water Solubility, LogSw

-6.16

Polar Surface Area

69.544

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V016-8247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8247?
Check Price and Availability of V016-8247, 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 V016-8247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8247
  • 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 V016-8247 available by request