V011-0491 Screening compound: 1-{4-[1-(4-fluorophenyl)-3-methyl-6-(1-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-1-pentanone

V011-0491 Screening compound: 1-{4-[1-(4-fluorophenyl)-3-methyl-6-(1-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-1-pentanone
V011-0491 Screening compound: 1-{4-[1-(4-fluorophenyl)-3-methyl-6-(1-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-1-pentanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0491
1-{4-[1-(4-fluorophenyl)-3-methyl-6-(1-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-1-pentanone

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

V011-0491

Molecular Formula

C27H37FN6O (C27 H37 FN6 O)

Compound Name

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

IUPAC name

1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}pentan-1-one

SMILES

CCCCC(N(CCC1)CCN1c1c(c(C)nn2-c(cc3)ccc3F)c2nc(C(C)CCC)n1)=O

InChI

InChI=1S/C27H37FN6O/c1-5-7-10-23(35)32-15-8-16-33(18-17-32)26-24-20(4)31-34(22-13-11-21(28)12-14-22)27(24)30-25(29-26)19(3)9-6-2/h11-14,19H,5-10,15-18H2,1-4H3/t19-/m0/s1

InChI Key

NYRNJPISSZIBIA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19862519

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.63

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

5.798

Distribution Coefficient, logD

5.177

Water Solubility, LogSw

-5.70

Polar Surface Area

53.506

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

V011-0491 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V011-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0491?
Check Price and Availability of V011-0491, 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 V011-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0491
  • 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 V011-0491 available by request