S372-1036 Screening compound: 2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one

S372-1036 Screening compound: 2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one
S372-1036 Screening compound: 2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-1036
2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-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

S372-1036

Molecular Formula

C26H27N7O2 (C26 H27 N7 O2)

Compound Name

2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one

IUPAC name

2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1H2H7H8H9H10H-pyrazino[12-b]indazol-1-one

SMILES

O=C(c1ccc(CN(C=Cn2nc(CCCC3)c3c22)C2=O)cc1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C26H27N7O2/c34-24(30-12-14-31(15-13-30)26-27-10-3-11-28-26)20-8-6-19(7-9-20)18-32-16-17-33-23(25(32)35)21-4-1-2-5-22(21)29-33/h3,6-11,16-17H,1-2,4-5,12-15,18H2

InChI Key

PVTYBAWTODYPLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.554

Distribution Coefficient, logD

1.554

Water Solubility, LogSw

-1.90

Polar Surface Area

67.710

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

S372-1036 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S372-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-1036?
Check Price and Availability of S372-1036, 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 S372-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-1036
  • 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 S372-1036 available by request