3909-8778 Screening compound: ethyl 4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate

3909-8778 Screening compound: ethyl 4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate
3909-8778 Screening compound: ethyl 4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-8778
ethyl 4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate

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

3909-8778

Molecular Formula

C26H32N6O4S (C26 H32 N6 O4 S)

Compound Name

ethyl 4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[23-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1c(C)c2c(N(CC3)CCN3c(cc3)ccc3OC)ncnc2s1)=O)=O

InChI

InChI=1S/C26H32N6O4S/c1-4-36-26(34)32-15-13-31(14-16-32)25(33)22-18(2)21-23(27-17-28-24(21)37-22)30-11-9-29(10-12-30)19-5-7-20(35-3)8-6-19/h5-8,17H,4,9-16H2,1-3H3

InChI Key

QBAXJXALXOUIIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.31

Polar Surface Area

74.771

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

3909-8778 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 3909-8778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-8778?
Check Price and Availability of 3909-8778, 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 3909-8778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-8778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-8778
  • 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 3909-8778 available by request