8002-1261 Screening compound: (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]methanimine

8002-1261 Screening compound: (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]methanimine
8002-1261 Screening compound: (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-1261
(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]methanimine

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

8002-1261

Molecular Formula

C28H23BrN2O2 (C28 H23 BrN2 O2)

Compound Name

(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]methanimine

IUPAC name

(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-(4-tert-butylphenyl)-13-benzoxazol-5-yl]methanimine

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(cc(cc2)/N=C/c3ccc(-c(cc4)ccc4Br)o3)c2o1

InChI

InChI=1S/C28H23BrN2O2/c1-28(2,3)20-8-4-19(5-9-20)27-31-24-16-22(12-14-26(24)33-27)30-17-23-13-15-25(32-23)18-6-10-21(29)11-7-18/h4-17H,1-3H3

InChI Key

CDIBGMJAKZUSMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00321944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.748

Distribution Coefficient, logD

8.748

Water Solubility, LogSw

-5.87

Polar Surface Area

32.746

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8002-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-1261?
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What is the minimum amount of 8002-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-1261
  • 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 8002-1261 available by request