0478-0719 Screening compound: methyl 4-[(4-{5-[4-(methoxycarbonyl)benzamido]-1,3-benzoxazol-2-yl}phenyl)carbamoyl]benzoate

0478-0719 Screening compound: methyl 4-[(4-{5-[4-(methoxycarbonyl)benzamido]-1,3-benzoxazol-2-yl}phenyl)carbamoyl]benzoate
0478-0719 Screening compound: methyl 4-[(4-{5-[4-(methoxycarbonyl)benzamido]-1,3-benzoxazol-2-yl}phenyl)carbamoyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0478-0719
methyl 4-[(4-{5-[4-(methoxycarbonyl)benzamido]-1,3-benzoxazol-2-yl}phenyl)carbamoyl]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

0478-0719

Molecular Formula

C31H23N3O7 (C31 H23 N3 O7)

Compound Name

methyl 4-[(4-{5-[4-(methoxycarbonyl)benzamido]-1,3-benzoxazol-2-yl}phenyl)carbamoyl]benzoate

IUPAC name

methyl 4-[(4-{5-[4-(methoxycarbonyl)benzamido]-13-benzoxazol-2-yl}phenyl)carbamoyl]benzoate

SMILES

COC(c(cc1)ccc1C(Nc(cc1)ccc1-c1nc(cc(cc2)NC(c(cc3)ccc3C(OC)=O)=O)c2o1)=O)=O

InChI

InChI=1S/C31H23N3O7/c1-39-30(37)21-7-3-18(4-8-21)27(35)32-23-13-11-20(12-14-23)29-34-25-17-24(15-16-26(25)41-29)33-28(36)19-5-9-22(10-6-19)31(38)40-2/h3-17H,1-2H3,(H,32,35)(H,33,36)

InChI Key

PMHIVEGTIGDIAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00311983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.559

Distribution Coefficient, logD

5.557

Water Solubility, LogSw

-5.54

Polar Surface Area

105.579

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

0478-0719 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0478-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0478-0719?
Check Price and Availability of 0478-0719, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0478-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0478-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0478-0719
  • 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 0478-0719 available by request