E629-1815 Screening compound: 2-[5-chloro-2-(2-thienyl)-1H-indol-1-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide

E629-1815 Screening compound: 2-[5-chloro-2-(2-thienyl)-1H-indol-1-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide
E629-1815 Screening compound: 2-[5-chloro-2-(2-thienyl)-1H-indol-1-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E629-1815
2-[5-chloro-2-(2-thienyl)-1H-indol-1-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide

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

E629-1815

Molecular Formula

C18H17ClN2O3S2 (C18 H17 ClN2 O3 S2)

Compound Name

2-[5-chloro-2-(2-thienyl)-1H-indol-1-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide

IUPAC name

2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-(11-dioxo-1lambda6-thiolan-3-yl)acetamide

SMILES

O=C(Cn(c(-c1cccs1)c1)c(cc2)c1cc2Cl)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C18H17ClN2O3S2/c19-13-3-4-15-12(8-13)9-16(17-2-1-6-25-17)21(15)10-18(22)20-14-5-7-26(23,24)11-14/h1-4,6,8-9,14H,5,7,10-11H2,(H,20,22)/t14-/m0/s1

InChI Key

ZOCZLCFQBJSFKG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27600801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.141

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.62

Polar Surface Area

54.073

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

E629-1815 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E629-1815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E629-1815?
Check Price and Availability of E629-1815, 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 E629-1815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E629-1815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E629-1815
  • 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 E629-1815 available by request