K694-0169 Screening compound: N~2~-{3-[(3,4-dimethoxyphenethyl)amino]-3-oxopropyl}-2-thiophenecarboxamide

K694-0169 Screening compound: N~2~-{3-[(3,4-dimethoxyphenethyl)amino]-3-oxopropyl}-2-thiophenecarboxamide
K694-0169 Screening compound: N~2~-{3-[(3,4-dimethoxyphenethyl)amino]-3-oxopropyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K694-0169
N~2~-{3-[(3,4-dimethoxyphenethyl)amino]-3-oxopropyl}-2-thiophenecarboxamide

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

K694-0169

Molecular Formula

C18H22N2O4S (C18 H22 N2 O4 S)

Compound Name

N~2~-{3-[(3,4-dimethoxyphenethyl)amino]-3-oxopropyl}-2-thiophenecarboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-[(thiophen-2-yl)formamido]propanamide

SMILES

COc(ccc(CCNC(CCNC(c1cccs1)=O)=O)c1)c1OC

InChI

InChI=1S/C18H22N2O4S/c1-23-14-6-5-13(12-15(14)24-2)7-9-19-17(21)8-10-20-18(22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)(H,20,22)

InChI Key

GUCJXKJXWMFIKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.906

Distribution Coefficient, logD

0.906

Water Solubility, LogSw

-2.19

Polar Surface Area

65.085

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

K694-0169 in Drug Discovery

Included in Screening Libraries

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 K694-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K694-0169?
Check Price and Availability of K694-0169, 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 K694-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K694-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K694-0169
  • 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 K694-0169 available by request