4581-0603 Screening compound: (Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino 4-tert-butylbenzoate

4581-0603 Screening compound: (Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino 4-tert-butylbenzoate
4581-0603 Screening compound: (Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino 4-tert-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4581-0603
(Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino 4-tert-butylbenzoate

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

4581-0603

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

(Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino 4-tert-butylbenzoate

IUPAC name

(Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino 4-tert-butylbenzoate

SMILES

CC(C)(C)c(cc1)ccc1C(O/N=C(/Cc1cccs1)\N)=O

InChI

InChI=1S/C17H20N2O2S/c1-17(2,3)13-8-6-12(7-9-13)16(20)21-19-15(18)11-14-5-4-10-22-14/h4-10H,11H2,1-3H3,(H2,18,19)

InChI Key

NGJYDTPFEJHJKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02922073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-4.27

Polar Surface Area

53.030

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

4581-0603 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4581-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4581-0603?
Check Price and Availability of 4581-0603, 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 4581-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4581-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4581-0603
  • 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 4581-0603 available by request