K913-0063 Screening compound: methyl 2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-amido}benzoate

K913-0063 Screening compound: methyl 2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-amido}benzoate
K913-0063 Screening compound: methyl 2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K913-0063
methyl 2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[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

K913-0063

Molecular Formula

C27H27N5O4S (C27 H27 N5 O4 S)

Compound Name

methyl 2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-amido}benzoate

IUPAC name

methyl 2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[23-d]pyrimidine-6-amido}benzoate

SMILES

Cc1c(C(Nc(cccc2)c2C(OC)=O)=O)sc2ncnc(N(CC3)CCN3c(cccc3)c3OC)c12

InChI

InChI=1S/C27H27N5O4S/c1-17-22-24(32-14-12-31(13-15-32)20-10-6-7-11-21(20)35-2)28-16-29-26(22)37-23(17)25(33)30-19-9-5-4-8-18(19)27(34)36-3/h4-11,16H,12-15H2,1-3H3,(H,30,33)

InChI Key

BGTUOYSCLWTXPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

4.404

Water Solubility, LogSw

-5.12

Polar Surface Area

78.696

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K913-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K913-0063?
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What is the minimum amount of K913-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K913-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K913-0063
  • 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 K913-0063 available by request