K696-0168 Screening compound: 2,5,6-trimethyl-N-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine

K696-0168 Screening compound: 2,5,6-trimethyl-N-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
K696-0168 Screening compound: 2,5,6-trimethyl-N-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K696-0168
2,5,6-trimethyl-N-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine

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

K696-0168

Molecular Formula

C15H14N4O2S (C15 H14 N4 O2 S)

Compound Name

2,5,6-trimethyl-N-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine

IUPAC name

256-trimethyl-N-(4-nitrophenyl)thieno[23-d]pyrimidin-4-amine

SMILES

Cc1c(C)sc2nc(C)nc(Nc(cc3)ccc3[N+]([O-])=O)c12

InChI

InChI=1S/C15H14N4O2S/c1-8-9(2)22-15-13(8)14(16-10(3)17-15)18-11-4-6-12(7-5-11)19(20)21/h4-7H,1-3H3,(H,16,17,18)

InChI Key

RRBPZZVMCOOGNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.312

Water Solubility, LogSw

-4.56

Polar Surface Area

62.461

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K696-0168 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K696-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K696-0168?
Check Price and Availability of K696-0168, 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 K696-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K696-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K696-0168
  • 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 K696-0168 available by request