8018-6498 Screening compound: methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-5-yl]acetate

8018-6498 Screening compound: methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-5-yl]acetate
8018-6498 Screening compound: methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-5-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6498
methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-5-yl]acetate

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

8018-6498

Molecular Formula

C8H9ClN2O3S (C8 H9 ClN2 O3 S)

Compound Name

methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-5-yl]acetate

IUPAC name

methyl 2-[2-(2-chloroacetamido)-13-thiazol-5-yl]acetate

SMILES

COC(Cc1cnc(NC(CCl)=O)s1)=O

InChI

InChI=1S/C8H9ClN2O3S/c1-14-7(13)2-5-4-10-8(15-5)11-6(12)3-9/h4H,2-3H2,1H3,(H,10,11,12)

InChI Key

KDOOFRJSQNSJIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04343724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.248

Distribution Coefficient, logD

1.197

Water Solubility, LogSw

-2.17

Polar Surface Area

54.535

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8018-6498 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-6498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6498?
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What is the minimum amount of 8018-6498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6498
  • 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 8018-6498 available by request