S596-1249 Screening compound: (2S

S596-1249 Screening compound: (2S
S596-1249 Screening compound: (2S alternative view

Chemical Structure Depiction of ChemDiv screening compound S596-1249
(2S

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

S596-1249

Molecular Formula

C17H29N3O3 (C17 H29 N3 O3)

Compound Name

(2S

IUPAC name

n/a

SMILES

CNC([C@H](C[C@H](C1)O)N1C(CC1)CCN1C(C1CCCC1)=O)=O

InChI

InChI=1S/C17H29N3O3/c1-18-16(22)15-10-14(21)11-20(15)13-6-8-19(9-7-13)17(23)12-4-2-3-5-12/h12-15,21H,2-11H2,1H3,(H,18,22)/t14-,15-/m0/s1

InChI Key

UATLQBNKKBCYPA-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.592

Distribution Coefficient, logD

0.320

Water Solubility, LogSw

-1.00

Polar Surface Area

61.089

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.00

S596-1249 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S596-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S596-1249?
Check Price and Availability of S596-1249, 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 S596-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S596-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S596-1249
  • 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 S596-1249 available by request