8475-0150 Screening compound: [(5-bromo-1,3-thiazol-2-yl)carbamoyl]methyl 2-(6-methoxynaphthalen-2-yl)propanoate

8475-0150 Screening compound: [(5-bromo-1,3-thiazol-2-yl)carbamoyl]methyl 2-(6-methoxynaphthalen-2-yl)propanoate
8475-0150 Screening compound: [(5-bromo-1,3-thiazol-2-yl)carbamoyl]methyl 2-(6-methoxynaphthalen-2-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8475-0150
[(5-bromo-1,3-thiazol-2-yl)carbamoyl]methyl 2-(6-methoxynaphthalen-2-yl)propanoate

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

8475-0150

Molecular Formula

C19H17BrN2O4S (C19 H17 BrN2 O4 S)

Compound Name

[(5-bromo-1,3-thiazol-2-yl)carbamoyl]methyl 2-(6-methoxynaphthalen-2-yl)propanoate

IUPAC name

[(5-bromo-13-thiazol-2-yl)carbamoyl]methyl 2-(6-methoxynaphthalen-2-yl)propanoate

SMILES

CC(C(OCC(Nc(s1)ncc1Br)=O)=O)c(ccc1c2)cc1ccc2OC

InChI

InChI=1S/C19H17BrN2O4S/c1-11(12-3-4-14-8-15(25-2)6-5-13(14)7-12)18(24)26-10-17(23)22-19-21-9-16(20)27-19/h3-9,11H,10H2,1-2H3,(H,21,22,23)/t11-/m1/s1

InChI Key

ZHJPRGFJLNVNBA-LLVKDONJSA-N

MDL Number (MFCD)

MFCD09269913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.008

Distribution Coefficient, logD

4.970

Water Solubility, LogSw

-4.76

Polar Surface Area

62.086

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

8475-0150 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8475-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8475-0150?
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What is the minimum amount of 8475-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8475-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8475-0150
  • 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 8475-0150 available by request