V005-0369 Screening compound: 1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methoxybenzoyl)-1,4-diazepane

V005-0369 Screening compound: 1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methoxybenzoyl)-1,4-diazepane
V005-0369 Screening compound: 1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methoxybenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0369
1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methoxybenzoyl)-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

V005-0369

Molecular Formula

C32H31FN6O2 (C32 H31 FN6 O2)

Compound Name

1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methoxybenzoyl)-1,4-diazepane

IUPAC name

1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-(4-methoxybenzoyl)-14-diazepane

SMILES

Cc(c1c(N(CCC2)CCN2C(c(cc2)ccc2OC)=O)nc(Cc2ccccc2)nc11)nn1-c(cc1)ccc1F

InChI

InChI=1S/C32H31FN6O2/c1-22-29-30(37-17-6-18-38(20-19-37)32(40)24-9-15-27(41-2)16-10-24)34-28(21-23-7-4-3-5-8-23)35-31(29)39(36-22)26-13-11-25(33)12-14-26/h3-5,7-16H,6,17-21H2,1-2H3

InChI Key

OEHQECRVYAMXRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862882

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

550.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.438

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.49

Polar Surface Area

62.025

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V005-0369 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V005-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0369?
Check Price and Availability of V005-0369, 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 V005-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0369
  • 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 V005-0369 available by request