V011-0452 Screening compound: 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one

V011-0452 Screening compound: 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one
V011-0452 Screening compound: 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0452
1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-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

V011-0452

Molecular Formula

C28H31FN6O (C28 H31 FN6 O)

Compound Name

1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one

IUPAC name

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

SMILES

CC(C)C(N(CCC1)CCN1c1c(c(C)nn2-c(cc3)ccc3F)c2nc(Cc2ccccc2)n1)=O

InChI

InChI=1S/C28H31FN6O/c1-19(2)28(36)34-15-7-14-33(16-17-34)26-25-20(3)32-35(23-12-10-22(29)11-13-23)27(25)31-24(30-26)18-21-8-5-4-6-9-21/h4-6,8-13,19H,7,14-18H2,1-3H3

InChI Key

CHPOBGJZOZOVBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862887

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.107

Distribution Coefficient, logD

5.005

Water Solubility, LogSw

-5.10

Polar Surface Area

54.753

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V011-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0452?
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What is the minimum amount of V011-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0452
  • 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 V011-0452 available by request