C651-0688 Screening compound: N-(2-chloropyridin-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C651-0688 Screening compound: N-(2-chloropyridin-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
C651-0688 Screening compound: N-(2-chloropyridin-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0688
N-(2-chloropyridin-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

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

C651-0688

Molecular Formula

C18H18ClN3O5 (C18 H18 ClN3 O5)

Compound Name

N-(2-chloropyridin-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

IUPAC name

N-(2-chloropyridin-3-yl)-3-(345-trimethoxyphenyl)-45-dihydro-12-oxazole-5-carboxamide

SMILES

COc1cc(C(C2)=NOC2C(Nc2cccnc2Cl)=O)cc(OC)c1OC

InChI

InChI=1S/C18H18ClN3O5/c1-24-13-7-10(8-14(25-2)16(13)26-3)12-9-15(27-22-12)18(23)21-11-5-4-6-20-17(11)19/h4-8,15H,9H2,1-3H3,(H,21,23)/t15-/m0/s1

InChI Key

ABNCXFPLYORLME-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08106505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-3.48

Polar Surface Area

77.888

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C651-0688 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C651-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0688?
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What is the minimum amount of C651-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0688
  • 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 C651-0688 available by request