C301-7872 Screening compound: N-(3,6-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-3,5-dimethoxybenzamide

C301-7872 Screening compound: N-(3,6-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-3,5-dimethoxybenzamide
C301-7872 Screening compound: N-(3,6-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7872
N-(3,6-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-3,5-dimethoxybenzamide

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

C301-7872

Molecular Formula

C18H18N2O5 (C18 H18 N2 O5)

Compound Name

N-(3,6-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-3,5-dimethoxybenzamide

IUPAC name

N-(36-dimethyl-2-oxo-23-dihydro-13-benzoxazol-5-yl)-35-dimethoxybenzamide

SMILES

Cc(c(NC(c1cc(OC)cc(OC)c1)=O)c1)cc(O2)c1N(C)C2=O

InChI

InChI=1S/C18H18N2O5/c1-10-5-16-15(20(2)18(22)25-16)9-14(10)19-17(21)11-6-12(23-3)8-13(7-11)24-4/h5-9H,1-4H3,(H,19,21)

InChI Key

SDNGBTBNGSHRAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-3.35

Polar Surface Area

60.585

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C301-7872 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-7872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7872?
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What is the minimum amount of C301-7872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7872
  • 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 C301-7872 available by request