S639-0080 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-4-methylpentanamide

S639-0080 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-4-methylpentanamide
S639-0080 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-0080
N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-4-methylpentanamide

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

S639-0080

Molecular Formula

C14H29N3O (C14 H29 N3 O)

Compound Name

N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-4-methylpentanamide

IUPAC name

N-[(3S4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide

SMILES

CC(C)CCC(N[C@@H]1[C@@H](CN(C)C)CN(C)C1)=O

InChI

InChI=1S/C14H29N3O/c1-11(2)6-7-14(18)15-13-10-17(5)9-12(13)8-16(3)4/h11-13H,6-10H2,1-5H3,(H,15,18)/t12-,13-/m0/s1

InChI Key

MMJYZEXZZRKQPY-STQMWFEESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.126

Distribution Coefficient, logD

-1.454

Water Solubility, LogSw

-1.57

Polar Surface Area

32.422

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

92.86

S639-0080 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S639-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-0080?
Check Price and Availability of S639-0080, 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 S639-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-0080
  • 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 S639-0080 available by request