V031-0245 Screening compound: 1-(4-ethylbenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane

V031-0245 Screening compound: 1-(4-ethylbenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane
V031-0245 Screening compound: 1-(4-ethylbenzoyl)-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 V031-0245
1-(4-ethylbenzoyl)-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

V031-0245

Molecular Formula

C34H36N6O (C34 H36 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1C(N(CCC1)CCN1c1nc(Cc2ccc(C)cc2)nc2c1c(C)nn2-c1ccccc1)=O

InChI

InChI=1S/C34H36N6O/c1-4-26-15-17-28(18-16-26)34(41)39-20-8-19-38(21-22-39)32-31-25(3)37-40(29-9-6-5-7-10-29)33(31)36-30(35-32)23-27-13-11-24(2)12-14-27/h5-7,9-18H,4,8,19-23H2,1-3H3

InChI Key

VRRTWZVVEQLLTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857323

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.659

Distribution Coefficient, logD

6.557

Water Solubility, LogSw

-6.00

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

29.40

References: we are preparing a list of scientific research reports with V031-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0245?
Check Price and Availability of V031-0245, 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 V031-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0245
  • 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 V031-0245 available by request