SB94-0250 Screening compound: 1-{[1-(5-pyrimidinylcarbonyl)-4-piperidyl]methyl}-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone

SB94-0250 Screening compound: 1-{[1-(5-pyrimidinylcarbonyl)-4-piperidyl]methyl}-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone
SB94-0250 Screening compound: 1-{[1-(5-pyrimidinylcarbonyl)-4-piperidyl]methyl}-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB94-0250
1-{[1-(5-pyrimidinylcarbonyl)-4-piperidyl]methyl}-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone

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

SB94-0250

Molecular Formula

C20H27N5O3 (C20 H27 N5 O3)

Compound Name

1-{[1-(5-pyrimidinylcarbonyl)-4-piperidyl]methyl}-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone

IUPAC name

1-{[1-(pyrimidine-5-carbonyl)piperidin-4-yl]methyl}-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

SMILES

O=C(C(C1)CN(CC(CC2)CCN2C(c2cncnc2)=O)C1=O)N1CCCC1

InChI

InChI=1S/C20H27N5O3/c26-18-9-16(19(27)23-5-1-2-6-23)13-25(18)12-15-3-7-24(8-4-15)20(28)17-10-21-14-22-11-17/h10-11,14-16H,1-9,12-13H2/t16-/m1/s1

InChI Key

GFSNIQOEPRQDRR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32249726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.624

Distribution Coefficient, logD

-0.624

Water Solubility, LogSw

-0.07

Polar Surface Area

71.847

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

SB94-0250 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB94-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB94-0250?
Check Price and Availability of SB94-0250, 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 SB94-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB94-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB94-0250
  • 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 SB94-0250 available by request