V011-5494 Screening compound: 1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-nitrobenzenesulfonyl)-1,4-diazepane

V011-5494 Screening compound: 1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-nitrobenzenesulfonyl)-1,4-diazepane
V011-5494 Screening compound: 1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-nitrobenzenesulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5494
1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-nitrobenzenesulfonyl)-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

V011-5494

Molecular Formula

C27H31N7O4S (C27 H31 N7 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCc1nc(n(-c2ccccc2)nc2C)c2c(N(CCC2)CCN2S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)n1

InChI

InChI=1S/C27H31N7O4S/c1-3-4-11-24-28-26(25-20(2)30-33(27(25)29-24)21-9-6-5-7-10-21)31-16-8-17-32(19-18-31)39(37,38)23-14-12-22(13-15-23)34(35)36/h5-7,9-10,12-15H,3-4,8,11,16-19H2,1-2H3

InChI Key

PGPUNDWSMCWGFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20024051

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

549.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.357

Distribution Coefficient, logD

4.811

Water Solubility, LogSw

-5.40

Polar Surface Area

103.197

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V011-5494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5494?
Check Price and Availability of V011-5494, 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 V011-5494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5494
  • 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 V011-5494 available by request