1988-2227 Screening compound: ethyl 2-{2-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]-1,3-thiazol-4-yl}acetate

1988-2227 Screening compound: ethyl 2-{2-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]-1,3-thiazol-4-yl}acetate
1988-2227 Screening compound: ethyl 2-{2-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]-1,3-thiazol-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-2227
ethyl 2-{2-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]-1,3-thiazol-4-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

1988-2227

Molecular Formula

C17H19ClN2O4S (C17 H19 ClN2 O4 S)

Compound Name

ethyl 2-{2-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]-1,3-thiazol-4-yl}acetate

IUPAC name

ethyl 2-{2-[2-(4-chloro-35-dimethylphenoxy)acetamido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC(COc(cc2C)cc(C)c2Cl)=O)n1)=O

InChI

InChI=1S/C17H19ClN2O4S/c1-4-23-15(22)7-12-9-25-17(19-12)20-14(21)8-24-13-5-10(2)16(18)11(3)6-13/h5-6,9H,4,7-8H2,1-3H3,(H,19,20,21)

InChI Key

AGSLHUZTGICTBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.491

Distribution Coefficient, logD

4.489

Water Solubility, LogSw

-4.70

Polar Surface Area

61.316

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

1988-2227 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1988-2227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-2227?
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What is the minimum amount of 1988-2227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-2227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-2227
  • 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 1988-2227 available by request