1141-0097 Screening compound: (1E,2E)-N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-imine

1141-0097 Screening compound: (1E,2E)-N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-imine
1141-0097 Screening compound: (1E,2E)-N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1141-0097
(1E,2E)-N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-imine

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

1141-0097

Molecular Formula

C26H23N3O3 (C26 H23 N3 O3)

Compound Name

(1E,2E)-N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-imine

IUPAC name

(1E2E)-N-[4-(5-tert-butyl-13-benzoxazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-imine

SMILES

CC(C)(C)c(cc1)cc2c1oc(-c(cc1)ccc1/N=C/C=C/c(cc1)ccc1[N+]([O-])=O)n2

InChI

InChI=1S/C26H23N3O3/c1-26(2,3)20-10-15-24-23(17-20)28-25(32-24)19-8-11-21(12-9-19)27-16-4-5-18-6-13-22(14-7-18)29(30)31/h4-17H,1-3H3

InChI Key

OKWZDIYDMBCAMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.607

Distribution Coefficient, logD

6.607

Water Solubility, LogSw

-5.81

Polar Surface Area

59.189

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 1141-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1141-0097?
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What is the minimum amount of 1141-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1141-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1141-0097
  • 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 1141-0097 available by request