SB04-0412 Screening compound: N,N-dimethyl-3-{[2-(3-methylbutanamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide

SB04-0412 Screening compound: N,N-dimethyl-3-{[2-(3-methylbutanamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide
SB04-0412 Screening compound: N,N-dimethyl-3-{[2-(3-methylbutanamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0412
N,N-dimethyl-3-{[2-(3-methylbutanamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide

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

SB04-0412

Molecular Formula

C19H36N4O3 (C19 H36 N4 O3)

Compound Name

N,N-dimethyl-3-{[2-(3-methylbutanamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide

IUPAC name

NN-dimethyl-3-{[2-(3-methylbutanamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide

SMILES

CC(C)CC(NCCN(C(CC1)CN1C(N(C)C)=O)C1CCOCC1)=O

InChI

InChI=1S/C19H36N4O3/c1-15(2)13-18(24)20-8-10-23(16-6-11-26-12-7-16)17-5-9-22(14-17)19(25)21(3)4/h15-17H,5-14H2,1-4H3,(H,20,24)/t17-/m1/s1

InChI Key

AEUFAIYURHBUAC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32245462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.042

Distribution Coefficient, logD

-2.248

Water Solubility, LogSw

-1.49

Polar Surface Area

52.445

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

89.47

SB04-0412 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB04-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0412?
Check Price and Availability of SB04-0412, 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 SB04-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0412
  • 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 SB04-0412 available by request