8005-1189 Screening compound: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(Z)-[(4-nitrophenyl)methylidene]amino]phenol

8005-1189 Screening compound: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(Z)-[(4-nitrophenyl)methylidene]amino]phenol
8005-1189 Screening compound: 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(Z)-[(4-nitrophenyl)methylidene]amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-1189
2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(Z)-[(4-nitrophenyl)methylidene]amino]phenol

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

8005-1189

Molecular Formula

C22H17N3O4 (C22 H17 N3 O4)

Compound Name

2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(Z)-[(4-nitrophenyl)methylidene]amino]phenol

IUPAC name

2-(5-ethyl-13-benzoxazol-2-yl)-4-[(Z)-[(4-nitrophenyl)methylidene]amino]phenol

SMILES

CCc(cc1)cc2c1oc(-c(cc(cc1)/N=C\c(cc3)ccc3[N+]([O-])=O)c1O)n2

InChI

InChI=1S/C22H17N3O4/c1-2-14-5-10-21-19(11-14)24-22(29-21)18-12-16(6-9-20(18)26)23-13-15-3-7-17(8-4-15)25(27)28/h3-13,26H,2H2,1H3

InChI Key

HPHNHRZLSQLOTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.543

Distribution Coefficient, logD

5.542

Water Solubility, LogSw

-5.33

Polar Surface Area

75.106

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8005-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1189?
Check Price and Availability of 8005-1189, 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 8005-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1189
  • 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 8005-1189 available by request