V011-1361 Screening compound: [2-(tert-butyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl][4-(4-nitrophenyl)piperazino]methanone

V011-1361 Screening compound: [2-(tert-butyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl][4-(4-nitrophenyl)piperazino]methanone
V011-1361 Screening compound: [2-(tert-butyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl][4-(4-nitrophenyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1361
[2-(tert-butyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl][4-(4-nitrophenyl)piperazino]methanone

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

V011-1361

Molecular Formula

C28H30N6O4 (C28 H30 N6 O4)

Compound Name

[2-(tert-butyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl][4-(4-nitrophenyl)piperazino]methanone

IUPAC name

1-[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[15-a]pyrimidine-7-carbonyl]-4-(4-nitrophenyl)piperazine

SMILES

CC(C)(C)c1nn2c(C(N(CC3)CCN3c(cc3)ccc3[N+]([O-])=O)=O)cc(-c3cc(OC)ccc3)nc2c1

InChI

InChI=1S/C28H30N6O4/c1-28(2,3)25-18-26-29-23(19-6-5-7-22(16-19)38-4)17-24(33(26)30-25)27(35)32-14-12-31(13-15-32)20-8-10-21(11-9-20)34(36)37/h5-11,16-18H,12-15H2,1-4H3

InChI Key

KIHHMNLNODRDAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19941445

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.561

Distribution Coefficient, logD

5.462

Water Solubility, LogSw

-5.52

Polar Surface Area

79.231

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.14

V011-1361 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V011-1361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1361?
Check Price and Availability of V011-1361, 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 V011-1361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1361
  • 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 V011-1361 available by request