K615-0045 Screening compound: methyl 4-{2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate

K615-0045 Screening compound: methyl 4-{2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
K615-0045 Screening compound: methyl 4-{2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K615-0045
methyl 4-{2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}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

K615-0045

Molecular Formula

C28H30N8O5S2 (C28 H30 N8 O5 S2)

Compound Name

methyl 4-{2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

methyl 4-{2-[(6-{[46-bis(morpholin-4-yl)-135-triazin-2-yl]amino}-13-benzothiazol-2-yl)sulfanyl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1nc(ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c2)c2s1)=O)=O

InChI

InChI=1S/C28H30N8O5S2/c1-39-24(38)18-2-4-19(5-3-18)29-23(37)17-42-28-31-21-7-6-20(16-22(21)43-28)30-25-32-26(35-8-12-40-13-9-35)34-27(33-25)36-10-14-41-15-11-36/h2-7,16H,8-15,17H2,1H3,(H,29,37)(H,30,32,33,34)

InChI Key

LGGCQWPXTURWDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.834

Distribution Coefficient, logD

5.833

Water Solubility, LogSw

-5.49

Polar Surface Area

113.860

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with K615-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K615-0045?
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What is the minimum amount of K615-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K615-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K615-0045
  • 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 K615-0045 available by request