SB04-0686 Screening compound: 3-[(2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}ethyl)(oxan-4-yl)amino]-N,N-dimethylpyrrolidine-1-carboxamide

SB04-0686 Screening compound: 3-[(2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}ethyl)(oxan-4-yl)amino]-N,N-dimethylpyrrolidine-1-carboxamide
SB04-0686 Screening compound: 3-[(2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}ethyl)(oxan-4-yl)amino]-N,N-dimethylpyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0686
3-[(2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}ethyl)(oxan-4-yl)amino]-N,N-dimethylpyrrolidine-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

SB04-0686

Molecular Formula

C21H37N5O3 (C21 H37 N5 O3)

Compound Name

3-[(2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}ethyl)(oxan-4-yl)amino]-N,N-dimethylpyrrolidine-1-carboxamide

IUPAC name

3-[(2-{[(35-dimethyl-12-oxazol-4-yl)methyl](methyl)amino}ethyl)(oxan-4-yl)amino]-NN-dimethylpyrrolidine-1-carboxamide

SMILES

Cc1noc(C)c1CN(C)CCN(C(CC1)CN1C(N(C)C)=O)C1CCOCC1

InChI

InChI=1S/C21H37N5O3/c1-16-20(17(2)29-22-16)15-24(5)10-11-26(18-7-12-28-13-8-18)19-6-9-25(14-19)21(27)23(3)4/h18-19H,6-15H2,1-5H3/t19-/m1/s1

InChI Key

MWUYMKRBYWUNRT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32245921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

-2.283

Water Solubility, LogSw

-1.26

Polar Surface Area

53.993

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

10.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.95

SB04-0686 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB04-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0686?
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What is the minimum amount of SB04-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0686
  • 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 SB04-0686 available by request