L349-0628 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide

L349-0628 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide
L349-0628 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L349-0628
2-{[4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide

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

L349-0628

Molecular Formula

C18H17N3O3S3 (C18 H17 N3 O3 S3)

Compound Name

2-{[4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-{[4-(4-methylbenzenesulfonyl)-13-thiazol-5-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide

SMILES

Cc(cc1)ccc1S(c1c(SCC(NCc2cnccc2)=O)scn1)(=O)=O

InChI

InChI=1S/C18H17N3O3S3/c1-13-4-6-15(7-5-13)27(23,24)17-18(26-12-21-17)25-11-16(22)20-10-14-3-2-8-19-9-14/h2-9,12H,10-11H2,1H3,(H,20,22)

InChI Key

FIBRVDSDTLUGGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15124729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.10

Polar Surface Area

73.630

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L349-0628 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L349-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L349-0628?
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What is the minimum amount of L349-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L349-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L349-0628
  • 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 L349-0628 available by request