SB25-1098 Screening compound: 2-(4-fluorophenyl)-7-{[4-(2-pyrimidinyl)piperazino]carbonyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one

SB25-1098 Screening compound: 2-(4-fluorophenyl)-7-{[4-(2-pyrimidinyl)piperazino]carbonyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
SB25-1098 Screening compound: 2-(4-fluorophenyl)-7-{[4-(2-pyrimidinyl)piperazino]carbonyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB25-1098
2-(4-fluorophenyl)-7-{[4-(2-pyrimidinyl)piperazino]carbonyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-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

SB25-1098

Molecular Formula

C24H25FN6O2 (C24 H25 FN6 O2)

Compound Name

2-(4-fluorophenyl)-7-{[4-(2-pyrimidinyl)piperazino]carbonyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one

IUPAC name

2-(4-fluorophenyl)-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3H4H5H6H7H8H9H-cyclohepta[d]pyrimidin-4-one

SMILES

O=C(C(CC1)CCC(N=C(c(cc2)ccc2F)N2)=C1C2=O)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C24H25FN6O2/c25-18-6-2-16(3-7-18)21-28-20-9-5-17(4-8-19(20)22(32)29-21)23(33)30-12-14-31(15-13-30)24-26-10-1-11-27-24/h1-3,6-7,10-11,17H,4-5,8-9,12-15H2,(H,28,29,32)/t17-/m1/s1

InChI Key

JOQJIKPMZFINHG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32247033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

1.392

Water Solubility, LogSw

-2.77

Polar Surface Area

73.464

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

SB25-1098 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB25-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB25-1098?
Check Price and Availability of SB25-1098, 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 SB25-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB25-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB25-1098
  • 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 SB25-1098 available by request