1889-1652 Screening compound: ethyl 2-[2-(4-chloro-2-methylphenoxy)propanamido]benzoate

1889-1652 Screening compound: ethyl 2-[2-(4-chloro-2-methylphenoxy)propanamido]benzoate
1889-1652 Screening compound: ethyl 2-[2-(4-chloro-2-methylphenoxy)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-1652
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanamido]benzoate

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

1889-1652

Molecular Formula

C19H20ClNO4 (C19 H20 ClNO4)

Compound Name

ethyl 2-[2-(4-chloro-2-methylphenoxy)propanamido]benzoate

IUPAC name

ethyl 2-[2-(4-chloro-2-methylphenoxy)propanamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(C(C)Oc(cc1)c(C)cc1Cl)=O)=O

InChI

InChI=1S/C19H20ClNO4/c1-4-24-19(23)15-7-5-6-8-16(15)21-18(22)13(3)25-17-10-9-14(20)11-12(17)2/h5-11,13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1

InChI Key

XOPIYAWQJIFMOB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01034732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.327

Distribution Coefficient, logD

5.294

Water Solubility, LogSw

-5.78

Polar Surface Area

50.261

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

1889-1652 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 1889-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-1652?
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What is the minimum amount of 1889-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-1652
  • 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 1889-1652 available by request