1778-3000 Screening compound: ethyl 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzoate

1778-3000 Screening compound: ethyl 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzoate
1778-3000 Screening compound: ethyl 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-3000
ethyl 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]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

1778-3000

Molecular Formula

C20H16Cl2N2O4 (C20 H16 Cl2 N2 O4)

Compound Name

ethyl 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzoate

IUPAC name

ethyl 2-[3-(26-dichlorophenyl)-5-methyl-12-oxazole-4-amido]benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c(C)onc1-c(c(Cl)ccc1)c1Cl)=O)=O

InChI

InChI=1S/C20H16Cl2N2O4/c1-3-27-20(26)12-7-4-5-10-15(12)23-19(25)16-11(2)28-24-18(16)17-13(21)8-6-9-14(17)22/h4-10H,3H2,1-2H3,(H,23,25)

InChI Key

KDUWDAYYHRHUMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01214647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.630

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-4.94

Polar Surface Area

65.346

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1778-3000 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 1778-3000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-3000?
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What is the minimum amount of 1778-3000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-3000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-3000
  • 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 1778-3000 available by request