S639-1750 Screening compound: 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine

S639-1750 Screening compound: 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine
S639-1750 Screening compound: 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1750
4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine

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

S639-1750

Molecular Formula

C12H25N3O (C12 H25 N3 O)

Compound Name

4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine

IUPAC name

(3S4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine

SMILES

CN(C)C[C@@H](CN(C1)C2CCOCC2)[C@H]1N

InChI

InChI=1S/C12H25N3O/c1-14(2)7-10-8-15(9-12(10)13)11-3-5-16-6-4-11/h10-12H,3-9,13H2,1-2H3/t10-,12-/m1/s1

InChI Key

KYNYQBZNJCCPSU-ZYHUDNBSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.816

Distribution Coefficient, logD

-3.587

Water Solubility, LogSw

0.53

Polar Surface Area

35.651

Acid Dissociation Constant (pKa)

25.33

Base Dissociation Constant (pKb)

10.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

100.00

S639-1750 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S639-1750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1750?
Check Price and Availability of S639-1750, 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 S639-1750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1750
  • 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 S639-1750 available by request