1688-0126 Screening compound: 4-tert-butyl-2-chloro-6-[(E)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]phenol

1688-0126 Screening compound: 4-tert-butyl-2-chloro-6-[(E)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]phenol
1688-0126 Screening compound: 4-tert-butyl-2-chloro-6-[(E)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1688-0126
4-tert-butyl-2-chloro-6-[(E)-{[5-(4-nitrophenyl)furan-2-yl]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

1688-0126

Molecular Formula

C21H19ClN2O4 (C21 H19 ClN2 O4)

Compound Name

4-tert-butyl-2-chloro-6-[(E)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]phenol

IUPAC name

4-tert-butyl-2-chloro-6-[(E)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]phenol

SMILES

CC(C)(C)c(cc1/N=C/c2ccc(-c(cc3)ccc3[N+]([O-])=O)o2)cc(Cl)c1O

InChI

InChI=1S/C21H19ClN2O4/c1-21(2,3)14-10-17(22)20(25)18(11-14)23-12-16-8-9-19(28-16)13-4-6-15(7-5-13)24(26)27/h4-12,25H,1-3H3

InChI Key

QCJMVYCKJROQKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01040430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.678

Distribution Coefficient, logD

6.123

Water Solubility, LogSw

-6.15

Polar Surface Area

64.099

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1688-0126 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1688-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1688-0126?
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What is the minimum amount of 1688-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1688-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1688-0126
  • 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 1688-0126 available by request