0957-0271 Screening compound: 4-[(E)-{[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl]phenyl 3-bromobenzoate

0957-0271 Screening compound: 4-[(E)-{[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl]phenyl 3-bromobenzoate
0957-0271 Screening compound: 4-[(E)-{[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl]phenyl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0957-0271
4-[(E)-{[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl]phenyl 3-bromobenzoate

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

0957-0271

Molecular Formula

C29H21BrN2O4 (C29 H21 BrN2 O4)

Compound Name

4-[(E)-{[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl]phenyl 3-bromobenzoate

IUPAC name

4-[(E)-{[3-(5-ethyl-13-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl]phenyl 3-bromobenzoate

SMILES

CCc(cc1)cc2c1oc(-c(cc(cc1)/N=C/c(cc3)ccc3OC(c3cccc(Br)c3)=O)c1O)n2

InChI

InChI=1S/C29H21BrN2O4/c1-2-18-8-13-27-25(14-18)32-28(36-27)24-16-22(9-12-26(24)33)31-17-19-6-10-23(11-7-19)35-29(34)20-4-3-5-21(30)15-20/h3-17,33H,2H2,1H3

InChI Key

VRWSPOLPCQDKDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00645426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.446

Distribution Coefficient, logD

7.444

Water Solubility, LogSw

-5.51

Polar Surface Area

62.102

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

0957-0271 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 0957-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0957-0271?
Check Price and Availability of 0957-0271, 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 0957-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0957-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0957-0271
  • 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 0957-0271 available by request