V012-3807 Screening compound: 1-(2-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane

V012-3807 Screening compound: 1-(2-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane
V012-3807 Screening compound: 1-(2-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3807
1-(2-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-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

V012-3807

Molecular Formula

C32H31FN6O (C32 H31 FN6 O)

Compound Name

1-(2-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane

IUPAC name

1-(2-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-14-diazepane

SMILES

Cc(c1c2nc(Cc3ccc(C)cc3)nc1N(CCC1)CCN1C(c(cccc1)c1F)=O)nn2-c1ccccc1

InChI

InChI=1S/C32H31FN6O/c1-22-13-15-24(16-14-22)21-28-34-30(29-23(2)36-39(31(29)35-28)25-9-4-3-5-10-25)37-17-8-18-38(20-19-37)32(40)26-11-6-7-12-27(26)33/h3-7,9-16H,8,17-21H2,1-2H3

InChI Key

IDBGXCLIXRPRAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857309

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

534.64

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

5.864

Distribution Coefficient, logD

5.762

Water Solubility, LogSw

-5.79

Polar Surface Area

54.481

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V012-3807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3807?
Check Price and Availability of V012-3807, 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 V012-3807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3807
  • 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 V012-3807 available by request