V009-0135 Screening compound: 1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}heptan-1-one

V009-0135 Screening compound: 1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}heptan-1-one
V009-0135 Screening compound: 1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}heptan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0135
1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}heptan-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

V009-0135

Molecular Formula

C28H39FN6O (C28 H39 FN6 O)

Compound Name

1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}heptan-1-one

IUPAC name

1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}heptan-1-one

SMILES

CCCCCCC(N(CCC1)CCN1c1c(c(C)nn2-c(cc3)ccc3F)c2nc(CCCC)n1)=O

InChI

InChI=1S/C28H39FN6O/c1-4-6-8-9-12-25(36)33-17-10-18-34(20-19-33)27-26-21(3)32-35(23-15-13-22(29)14-16-23)28(26)31-24(30-27)11-7-5-2/h13-16H,4-12,17-20H2,1-3H3

InChI Key

ZNGODTVNGMLSCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862473

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.417

Distribution Coefficient, logD

5.871

Water Solubility, LogSw

-5.81

Polar Surface Area

54.497

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with V009-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0135?
Check Price and Availability of V009-0135, 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 V009-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0135
  • 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 V009-0135 available by request