1889-3762 Screening compound: 4-chloro-3,5-dimethylphenyl 2-(2-methylphenoxy)acetate

1889-3762 Screening compound: 4-chloro-3,5-dimethylphenyl 2-(2-methylphenoxy)acetate
1889-3762 Screening compound: 4-chloro-3,5-dimethylphenyl 2-(2-methylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-3762
4-chloro-3,5-dimethylphenyl 2-(2-methylphenoxy)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

1889-3762

Molecular Formula

C17H17ClO3 (C17 H17 ClO3)

Compound Name

4-chloro-3,5-dimethylphenyl 2-(2-methylphenoxy)acetate

IUPAC name

4-chloro-35-dimethylphenyl 2-(2-methylphenoxy)acetate

SMILES

Cc(cccc1)c1OCC(Oc(cc1C)cc(C)c1Cl)=O

InChI

InChI=1S/C17H17ClO3/c1-11-6-4-5-7-15(11)20-10-16(19)21-14-8-12(2)17(18)13(3)9-14/h4-9H,10H2,1-3H3

InChI Key

RFFRVQCGPLQVIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-5.22

Polar Surface Area

27.607

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

1889-3762 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1889-3762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-3762?
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What is the minimum amount of 1889-3762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-3762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-3762
  • 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 1889-3762 available by request