K781-5931 Screening compound: N-(2,3-dimethylcyclohexyl)-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

K781-5931 Screening compound: N-(2,3-dimethylcyclohexyl)-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide
K781-5931 Screening compound: N-(2,3-dimethylcyclohexyl)-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-5931
N-(2,3-dimethylcyclohexyl)-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

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

K781-5931

Molecular Formula

C21H32N2O5 (C21 H32 N2 O5)

Compound Name

N-(2,3-dimethylcyclohexyl)-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

IUPAC name

N-(23-dimethylcyclohexyl)-3-[(345-trimethoxyphenyl)formamido]propanamide

SMILES

CC(CCC1)C(C)C1NC(CCNC(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C21H32N2O5/c1-13-7-6-8-16(14(13)2)23-19(24)9-10-22-21(25)15-11-17(26-3)20(28-5)18(12-15)27-4/h11-14,16H,6-10H2,1-5H3,(H,22,25)(H,23,24)

InChI Key

DZDRGWJVKVNZLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.046

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-2.46

Polar Surface Area

72.058

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.90

K781-5931 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 K781-5931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-5931?
Check Price and Availability of K781-5931, 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 K781-5931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-5931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-5931
  • 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 K781-5931 available by request