V014-0953 Screening compound: 1-{1-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

V014-0953 Screening compound: 1-{1-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
V014-0953 Screening compound: 1-{1-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0953
1-{1-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-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

V014-0953

Molecular Formula

C32H28N6O3 (C32 H28 N6 O3)

Compound Name

1-{1-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

1-{1-[5-(4-methoxyphenyl)-2-phenylpyrazolo[15-a]pyrimidine-7-carbonyl]piperidin-4-yl}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

COc(cc1)ccc1-c1nc2cc(-c3ccccc3)nn2c(C(N(CC2)CCC2N(c(cccc2)c2N2)C2=O)=O)c1

InChI

InChI=1S/C32H28N6O3/c1-41-24-13-11-22(12-14-24)26-19-29(38-30(33-26)20-27(35-38)21-7-3-2-4-8-21)31(39)36-17-15-23(16-18-36)37-28-10-6-5-9-25(28)34-32(37)40/h2-14,19-20,23H,15-18H2,1H3,(H,34,40)

InChI Key

KABFDWKFXHNJCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19941615

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.302

Distribution Coefficient, logD

6.302

Water Solubility, LogSw

-5.59

Polar Surface Area

68.171

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

V014-0953 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V014-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0953?
Check Price and Availability of V014-0953, 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 V014-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0953
  • 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 V014-0953 available by request