K292-0696 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide

K292-0696 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide
K292-0696 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-0696
N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide

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

K292-0696

Molecular Formula

C25H21N3O6S2 (C25 H21 N3 O6 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({3-[(2H-13-benzodioxol-5-yl)methyl]-4-oxo-3H4H-thieno[32-d]pyrimidin-2-yl}sulfanyl)butanamide

SMILES

CCC(C(Nc(cc1)cc2c1OCO2)=O)SC(N(Cc(cc1)cc2c1OCO2)C1=O)=Nc2c1scc2

InChI

InChI=1S/C25H21N3O6S2/c1-2-21(23(29)26-15-4-6-18-20(10-15)34-13-32-18)36-25-27-16-7-8-35-22(16)24(30)28(25)11-14-3-5-17-19(9-14)33-12-31-17/h3-10,21H,2,11-13H2,1H3,(H,26,29)/t21-/m0/s1

InChI Key

KTJASCKUZXYOBD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03018783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-4.89

Polar Surface Area

84.383

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

K292-0696 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 K292-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-0696?
Check Price and Availability of K292-0696, 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 K292-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-0696
  • 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 K292-0696 available by request