SB94-0801 Screening compound: N-(cyclopropylmethyl)-1-{[1-(1H-indol-4-ylcarbonyl)-4-piperidyl]methyl}-5-oxo-3-pyrrolidinecarboxamide

SB94-0801 Screening compound: N-(cyclopropylmethyl)-1-{[1-(1H-indol-4-ylcarbonyl)-4-piperidyl]methyl}-5-oxo-3-pyrrolidinecarboxamide
SB94-0801 Screening compound: N-(cyclopropylmethyl)-1-{[1-(1H-indol-4-ylcarbonyl)-4-piperidyl]methyl}-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB94-0801
N-(cyclopropylmethyl)-1-{[1-(1H-indol-4-ylcarbonyl)-4-piperidyl]methyl}-5-oxo-3-pyrrolidinecarboxamide

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

SB94-0801

Molecular Formula

C24H30N4O3 (C24 H30 N4 O3)

Compound Name

N-(cyclopropylmethyl)-1-{[1-(1H-indol-4-ylcarbonyl)-4-piperidyl]methyl}-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-(cyclopropylmethyl)-1-{[1-(1H-indole-4-carbonyl)piperidin-4-yl]methyl}-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(CC(CC2)CCN2C(c2c(cc[nH]3)c3ccc2)=O)C1=O)NCC1CC1

InChI

InChI=1S/C24H30N4O3/c29-22-12-18(23(30)26-13-16-4-5-16)15-28(22)14-17-7-10-27(11-8-17)24(31)20-2-1-3-21-19(20)6-9-25-21/h1-3,6,9,16-18,25H,4-5,7-8,10-15H2,(H,26,30)/t18-/m1/s1

InChI Key

SXESUYDKCOLXCI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32249806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.648

Distribution Coefficient, logD

1.648

Water Solubility, LogSw

-2.24

Polar Surface Area

68.800

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

SB94-0801 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with SB94-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB94-0801?
Check Price and Availability of SB94-0801, 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 SB94-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB94-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB94-0801
  • 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 SB94-0801 available by request