K913-0654 Screening compound: 2-[6-(4-benzylpiperazine-1-carbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinoline

K913-0654 Screening compound: 2-[6-(4-benzylpiperazine-1-carbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinoline
K913-0654 Screening compound: 2-[6-(4-benzylpiperazine-1-carbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K913-0654
2-[6-(4-benzylpiperazine-1-carbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinoline

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

K913-0654

Molecular Formula

C28H29N5OS (C28 H29 N5 OS)

Compound Name

2-[6-(4-benzylpiperazine-1-carbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[6-(4-benzylpiperazine-1-carbonyl)-5-methylthieno[23-d]pyrimidin-4-yl]-1234-tetrahydroisoquinoline

SMILES

Cc1c(C(N2CCN(Cc3ccccc3)CC2)=O)sc2ncnc(N(CC3)Cc4c3cccc4)c12

InChI

InChI=1S/C28H29N5OS/c1-20-24-26(33-12-11-22-9-5-6-10-23(22)18-33)29-19-30-27(24)35-25(20)28(34)32-15-13-31(14-16-32)17-21-7-3-2-4-8-21/h2-10,19H,11-18H2,1H3

InChI Key

CEXYJPOKHZTYPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.929

Distribution Coefficient, logD

4.808

Water Solubility, LogSw

-4.79

Polar Surface Area

44.389

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

K913-0654 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 K913-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K913-0654?
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What is the minimum amount of K913-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K913-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K913-0654
  • 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 K913-0654 available by request