K913-0628 Screening compound: methyl 2-[5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-amido]benzoate

K913-0628 Screening compound: methyl 2-[5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-amido]benzoate
K913-0628 Screening compound: methyl 2-[5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K913-0628
methyl 2-[5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-amido]benzoate

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

K913-0628

Molecular Formula

C25H22N4O3S (C25 H22 N4 O3 S)

Compound Name

methyl 2-[5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-amido]benzoate

IUPAC name

methyl 2-[5-methyl-4-(1234-tetrahydroisoquinolin-2-yl)thieno[23-d]pyrimidine-6-amido]benzoate

SMILES

Cc1c(C(Nc(cccc2)c2C(OC)=O)=O)sc2ncnc(N(CC3)Cc4c3cccc4)c12

InChI

InChI=1S/C25H22N4O3S/c1-15-20-22(29-12-11-16-7-3-4-8-17(16)13-29)26-14-27-24(20)33-21(15)23(30)28-19-10-6-5-9-18(19)25(31)32-2/h3-10,14H,11-13H2,1-2H3,(H,28,30)

InChI Key

QLKYNLZICRPRNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.151

Distribution Coefficient, logD

4.424

Water Solubility, LogSw

-5.16

Polar Surface Area

67.768

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K913-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K913-0628?
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What is the minimum amount of K913-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K913-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K913-0628
  • 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 K913-0628 available by request