Y010-0063 Screening compound: 3,5-dichloro-4-methoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

Y010-0063 Screening compound: 3,5-dichloro-4-methoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
Y010-0063 Screening compound: 3,5-dichloro-4-methoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0063
3,5-dichloro-4-methoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

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

Y010-0063

Molecular Formula

C22H16Cl2N2O4 (C22 H16 Cl2 N2 O4)

Compound Name

3,5-dichloro-4-methoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

IUPAC name

35-dichloro-4-methoxy-N-[2-(4-methoxyphenyl)-13-benzoxazol-5-yl]benzamide

SMILES

COc(cc1)ccc1-c1nc(cc(cc2)NC(c(cc3Cl)cc(Cl)c3OC)=O)c2o1

InChI

InChI=1S/C22H16Cl2N2O4/c1-28-15-6-3-12(4-7-15)22-26-18-11-14(5-8-19(18)30-22)25-21(27)13-9-16(23)20(29-2)17(24)10-13/h3-11H,1-2H3,(H,25,27)

InChI Key

AXMDVDMUAXDNFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06241115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.859

Distribution Coefficient, logD

5.823

Water Solubility, LogSw

-6.17

Polar Surface Area

55.401

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

Y010-0063 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y010-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0063?
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What is the minimum amount of Y010-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0063
  • 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 Y010-0063 available by request