4112-3936 Screening compound: 3,4-dimethoxy-N-[4-({2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl}oxy)phenyl]benzamide

4112-3936 Screening compound: 3,4-dimethoxy-N-[4-({2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl}oxy)phenyl]benzamide
4112-3936 Screening compound: 3,4-dimethoxy-N-[4-({2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl}oxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-3936
3,4-dimethoxy-N-[4-({2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl}oxy)phenyl]benzamide

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

4112-3936

Molecular Formula

C28H23N3O4S (C28 H23 N3 O4 S)

Compound Name

3,4-dimethoxy-N-[4-({2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl}oxy)phenyl]benzamide

IUPAC name

34-dimethoxy-N-[4-({2-methyl-6-phenylthieno[23-d]pyrimidin-4-yl}oxy)phenyl]benzamide

SMILES

Cc1nc(Oc(cc2)ccc2NC(c(cc2)cc(OC)c2OC)=O)c(cc(-c2ccccc2)s2)c2n1

InChI

InChI=1S/C28H23N3O4S/c1-17-29-27(22-16-25(36-28(22)30-17)18-7-5-4-6-8-18)35-21-12-10-20(11-13-21)31-26(32)19-9-14-23(33-2)24(15-19)34-3/h4-16H,1-3H3,(H,31,32)

InChI Key

ZBMKRIYYNHLEHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.054

Distribution Coefficient, logD

6.054

Water Solubility, LogSw

-5.65

Polar Surface Area

65.113

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

4112-3936 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4112-3936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-3936?
Check Price and Availability of 4112-3936, 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 4112-3936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-3936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-3936
  • 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 4112-3936 available by request