S902-1251 Screening compound: N,N-dimethyl-2-{7-[(1-methyl-1H-pyrrol-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-piperidinecarboxamide

S902-1251 Screening compound: N,N-dimethyl-2-{7-[(1-methyl-1H-pyrrol-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-piperidinecarboxamide
S902-1251 Screening compound: N,N-dimethyl-2-{7-[(1-methyl-1H-pyrrol-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S902-1251
N,N-dimethyl-2-{7-[(1-methyl-1H-pyrrol-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-piperidinecarboxamide

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

S902-1251

Molecular Formula

C19H29N7O (C19 H29 N7 O)

Compound Name

N,N-dimethyl-2-{7-[(1-methyl-1H-pyrrol-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-piperidinecarboxamide

IUPAC name

n/a

SMILES

CN(C)C(N(CCCC1)C1c1nnc2n1CCN(Cc1cccn1C)C2)=O

InChI

InChI=1S/C19H29N7O/c1-22(2)19(27)25-10-5-4-8-16(25)18-21-20-17-14-24(11-12-26(17)18)13-15-7-6-9-23(15)3/h6-7,9,16H,4-5,8,10-14H2,1-3H3/t16-/m0/s1

InChI Key

ABTPCNRHYKYELB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31955648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.876

Distribution Coefficient, logD

0.876

Water Solubility, LogSw

-1.38

Polar Surface Area

48.804

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S902-1251 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S902-1251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S902-1251?
Check Price and Availability of S902-1251, 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 S902-1251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S902-1251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S902-1251
  • 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 S902-1251 available by request