0780-1087 Screening compound: 4-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-2-methoxyphenyl 2,4-dichlorobenzoate

0780-1087 Screening compound: 4-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-2-methoxyphenyl 2,4-dichlorobenzoate
0780-1087 Screening compound: 4-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-2-methoxyphenyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0780-1087
4-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-2-methoxyphenyl 2,4-dichlorobenzoate

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

0780-1087

Molecular Formula

C28H17Cl2IN2O4 (C28 H17 Cl2 IN2 O4)

Compound Name

4-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-2-methoxyphenyl 2,4-dichlorobenzoate

IUPAC name

4-[(E)-{[2-(3-iodophenyl)-13-benzoxazol-5-yl]imino}methyl]-2-methoxyphenyl 24-dichlorobenzoate

SMILES

COc(cc(/C=N/c(cc1)cc2c1oc(-c1cccc(I)c1)n2)cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C28H17Cl2IN2O4/c1-35-26-11-16(5-9-25(26)37-28(34)21-8-6-18(29)13-22(21)30)15-32-20-7-10-24-23(14-20)33-27(36-24)17-3-2-4-19(31)12-17/h2-15H,1H3

InChI Key

NWINYDQEWWGKPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00305356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

643.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.413

Distribution Coefficient, logD

8.411

Water Solubility, LogSw

-6.68

Polar Surface Area

53.271

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

0780-1087 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 0780-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0780-1087?
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What is the minimum amount of 0780-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0780-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0780-1087
  • 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 0780-1087 available by request