SB04-0452 Screening compound: N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-1,3-thiazole-4-carboxamide

SB04-0452 Screening compound: N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-1,3-thiazole-4-carboxamide
SB04-0452 Screening compound: N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0452
N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-1,3-thiazole-4-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

SB04-0452

Molecular Formula

C18H29N5O3S (C18 H29 N5 O3 S)

Compound Name

N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-1,3-thiazole-4-carboxamide

IUPAC name

N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-13-thiazole-4-carboxamide

SMILES

CN(C)C(N(CC1)CC1N(CCNC(c1cscn1)=O)C1CCOCC1)=O

InChI

InChI=1S/C18H29N5O3S/c1-21(2)18(25)22-7-3-15(11-22)23(14-4-9-26-10-5-14)8-6-19-17(24)16-12-27-13-20-16/h12-15H,3-11H2,1-2H3,(H,19,24)/t15-/m0/s1

InChI Key

YYBDJMCPKQSRTN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32245734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.705

Distribution Coefficient, logD

-2.161

Water Solubility, LogSw

-1.99

Polar Surface Area

62.015

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

SB04-0452 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB04-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0452?
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What is the minimum amount of SB04-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0452
  • 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 SB04-0452 available by request