C241-1512 Screening compound: 3-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]propanamide

C241-1512 Screening compound: 3-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]propanamide
C241-1512 Screening compound: 3-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1512
3-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]propanamide

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

C241-1512

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

3-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]propanamide

IUPAC name

3-{24-dioxo-1-[(246-trimethylphenyl)methyl]-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]propanamide

SMILES

Cc1cc(C)c(CN(c2c(C(N3CCC(NCc(cc4)ccc4OC)=O)=O)scc2)C3=O)c(C)c1

InChI

InChI=1S/C27H29N3O4S/c1-17-13-18(2)22(19(3)14-17)16-30-23-10-12-35-25(23)26(32)29(27(30)33)11-9-24(31)28-15-20-5-7-21(34-4)8-6-20/h5-8,10,12-14H,9,11,15-16H2,1-4H3,(H,28,31)

InChI Key

BKLBSOKREYJQLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.210

Distribution Coefficient, logD

5.210

Water Solubility, LogSw

-4.98

Polar Surface Area

64.279

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C241-1512 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1512?
Check Price and Availability of C241-1512, 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 C241-1512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1512
  • 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 C241-1512 available by request