K801-0602 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[(2,3-dimethoxyphenyl)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

K801-0602 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[(2,3-dimethoxyphenyl)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
K801-0602 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[(2,3-dimethoxyphenyl)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0602
N-(2,5-dimethoxyphenyl)-2-{[(2,3-dimethoxyphenyl)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

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

K801-0602

Molecular Formula

C27H32N2O5S (C27 H32 N2 O5 S)

Compound Name

N-(2,5-dimethoxyphenyl)-2-{[(2,3-dimethoxyphenyl)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-2-{[(23-dimethoxyphenyl)methyl]amino}-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

COc(cc1)cc(NC(c2c(NCc(cccc3OC)c3OC)sc3c2CCCCC3)=O)c1OC

InChI

InChI=1S/C27H32N2O5S/c1-31-18-13-14-21(32-2)20(15-18)29-26(30)24-19-10-6-5-7-12-23(19)35-27(24)28-16-17-9-8-11-22(33-3)25(17)34-4/h8-9,11,13-15,28H,5-7,10,12,16H2,1-4H3,(H,29,30)

InChI Key

QOJYWDSKGPYNRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.781

Distribution Coefficient, logD

5.780

Water Solubility, LogSw

-5.46

Polar Surface Area

63.434

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with K801-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0602?
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What is the minimum amount of K801-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0602
  • 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 K801-0602 available by request