SB04-0342 Screening compound: 1-cyclopropanecarbonyl-N-(2-{methyl[(4-methyl-1,3-thiazol-5-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine

SB04-0342 Screening compound: 1-cyclopropanecarbonyl-N-(2-{methyl[(4-methyl-1,3-thiazol-5-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine
SB04-0342 Screening compound: 1-cyclopropanecarbonyl-N-(2-{methyl[(4-methyl-1,3-thiazol-5-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0342
1-cyclopropanecarbonyl-N-(2-{methyl[(4-methyl-1,3-thiazol-5-yl)methyl]amino}ethyl)-N-(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

SB04-0342

Molecular Formula

C21H34N4O2S (C21 H34 N4 O2 S)

Compound Name

1-cyclopropanecarbonyl-N-(2-{methyl[(4-methyl-1,3-thiazol-5-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine

IUPAC name

1-cyclopropanecarbonyl-N-(2-{methyl[(4-methyl-13-thiazol-5-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine

SMILES

Cc1c(CN(C)CCN(C(CC2)CN2C(C2CC2)=O)C2CCOCC2)scn1

InChI

InChI=1S/C21H34N4O2S/c1-16-20(28-15-22-16)14-23(2)9-10-25(18-6-11-27-12-7-18)19-5-8-24(13-19)21(26)17-3-4-17/h15,17-19H,3-14H2,1-2H3/t19-/m0/s1

InChI Key

HWKWGSYCOITQIR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32246516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.797

Distribution Coefficient, logD

0.535

Water Solubility, LogSw

-2.07

Polar Surface Area

41.525

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.95

SB04-0342 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 SB04-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0342?
Check Price and Availability of SB04-0342, 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 SB04-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0342
  • 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 SB04-0342 available by request