E641-2616 Screening compound: ethyl 2-(4-{[(1-ethylpiperidin-4-yl)[(thiophen-2-yl)methyl]carbamoyl]amino}phenyl)acetate

E641-2616 Screening compound: ethyl 2-(4-{[(1-ethylpiperidin-4-yl)[(thiophen-2-yl)methyl]carbamoyl]amino}phenyl)acetate
E641-2616 Screening compound: ethyl 2-(4-{[(1-ethylpiperidin-4-yl)[(thiophen-2-yl)methyl]carbamoyl]amino}phenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-2616
ethyl 2-(4-{[(1-ethylpiperidin-4-yl)[(thiophen-2-yl)methyl]carbamoyl]amino}phenyl)acetate

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

E641-2616

Molecular Formula

C23H31N3O3S (C23 H31 N3 O3 S)

Compound Name

ethyl 2-(4-{[(1-ethylpiperidin-4-yl)[(thiophen-2-yl)methyl]carbamoyl]amino}phenyl)acetate

IUPAC name

ethyl 2-(4-{[(1-ethylpiperidin-4-yl)[(thiophen-2-yl)methyl]carbamoyl]amino}phenyl)acetate

SMILES

CCN(CC1)CCC1N(Cc1cccs1)C(Nc1ccc(CC(OCC)=O)cc1)=O

InChI

InChI=1S/C23H31N3O3S/c1-3-25-13-11-20(12-14-25)26(17-21-6-5-15-30-21)23(28)24-19-9-7-18(8-10-19)16-22(27)29-4-2/h5-10,15,20H,3-4,11-14,16-17H2,1-2H3,(H,24,28)

InChI Key

GNPDWCYSFSVPSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

2.016

Water Solubility, LogSw

-3.77

Polar Surface Area

48.957

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

E641-2616 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E641-2616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-2616?
Check Price and Availability of E641-2616, 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 E641-2616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-2616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-2616
  • 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 E641-2616 available by request