K801-0406 Screening compound: METHYL 4-(2-{[(5-METHYLFURAN-2-YL)METHYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-AMIDO)BENZOATE

K801-0406 Screening compound: METHYL 4-(2-{[(5-METHYLFURAN-2-YL)METHYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-AMIDO)BENZOATE
K801-0406 Screening compound: METHYL 4-(2-{[(5-METHYLFURAN-2-YL)METHYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-AMIDO)BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0406
METHYL 4-(2-{[(5-METHYLFURAN-2-YL)METHYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-AMIDO)BENZOATE

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

K801-0406

Molecular Formula

C23H24N2O4S (C23 H24 N2 O4 S)

Compound Name

METHYL 4-(2-{[(5-METHYLFURAN-2-YL)METHYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-AMIDO)BENZOATE

IUPAC name

n/a

SMILES

Cc1ccc(CNc2c(C(Nc(cc3)ccc3C(OC)=O)=O)c(CCCC3)c3s2)o1

InChI

InChI=1S/C23H24N2O4S/c1-14-7-12-17(29-14)13-24-22-20(18-5-3-4-6-19(18)30-22)21(26)25-16-10-8-15(9-11-16)23(27)28-2/h7-12,24H,3-6,13H2,1-2H3,(H,25,26)

InChI Key

WOYFHXPZURVRSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.411

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.49

Polar Surface Area

61.716

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

K801-0406 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K801-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0406?
Check Price and Availability of K801-0406, 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 K801-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0406
  • 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 K801-0406 available by request