V030-5063 Screening compound: (E)-1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenyl-2-propen-1-one

V030-5063 Screening compound: (E)-1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenyl-2-propen-1-one
V030-5063 Screening compound: (E)-1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenyl-2-propen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5063
(E)-1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenyl-2-propen-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

V030-5063

Molecular Formula

C33H37FN6O (C33 H37 FN6 O)

Compound Name

(E)-1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenyl-2-propen-1-one

IUPAC name

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

SMILES

Cc(c1c(N(CCC2)CCN2C(/C=C/c2ccccc2)=O)nc(CC2CCCCC2)nc11)nn1-c(cc1)ccc1F

InChI

InChI=1S/C33H37FN6O/c1-24-31-32(39-20-8-19-38(21-22-39)30(41)18-13-25-9-4-2-5-10-25)35-29(23-26-11-6-3-7-12-26)36-33(31)40(37-24)28-16-14-27(34)15-17-28/h2,4-5,9-10,13-18,26H,3,6-8,11-12,19-23H2,1H3

InChI Key

HWSDKBDFQGEHNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862620

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.7

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

7.025

Distribution Coefficient, logD

6.335

Water Solubility, LogSw

-6.01

Polar Surface Area

54.146

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.39

V030-5063 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V030-5063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5063?
Check Price and Availability of V030-5063, 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 V030-5063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5063
  • 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 V030-5063 available by request