K913-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

K913-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
K913-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K913-0078
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

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

K913-0078

Molecular Formula

C29H33N5O4S (C29 H33 N5 O4 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(NCCc(cc2)cc(OC)c2OC)=O)sc2ncnc(N(CC3)CCN3c(cccc3)c3OC)c12

InChI

InChI=1S/C29H33N5O4S/c1-19-25-27(34-15-13-33(14-16-34)21-7-5-6-8-22(21)36-2)31-18-32-29(25)39-26(19)28(35)30-12-11-20-9-10-23(37-3)24(17-20)38-4/h5-10,17-18H,11-16H2,1-4H3,(H,30,35)

InChI Key

LLXDTHYIMBKRLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.45

Polar Surface Area

74.644

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

K913-0078 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 K913-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K913-0078?
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What is the minimum amount of K913-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K913-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K913-0078
  • 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 K913-0078 available by request