K615-0053 Screening compound: N-(4-methoxyphenyl)-2-[(6-{[4-(phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

K615-0053 Screening compound: N-(4-methoxyphenyl)-2-[(6-{[4-(phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
K615-0053 Screening compound: N-(4-methoxyphenyl)-2-[(6-{[4-(phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K615-0053
N-(4-methoxyphenyl)-2-[(6-{[4-(phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

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

K615-0053

Molecular Formula

C29H28N8O2S2 (C29 H28 N8 O2 S2)

Compound Name

N-(4-methoxyphenyl)-2-[(6-{[4-(phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-methoxyphenyl)-2-[(6-{[4-(phenylamino)-6-(pyrrolidin-1-yl)-135-triazin-2-yl]amino}-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

COc(cc1)ccc1NC(CSc1nc(ccc(Nc2nc(N3CCCC3)nc(Nc3ccccc3)n2)c2)c2s1)=O

InChI

InChI=1S/C29H28N8O2S2/c1-39-22-12-9-20(10-13-22)30-25(38)18-40-29-33-23-14-11-21(17-24(23)41-29)32-27-34-26(31-19-7-3-2-4-8-19)35-28(36-27)37-15-5-6-16-37/h2-4,7-14,17H,5-6,15-16,18H2,1H3,(H,30,38)(H2,31,32,34,35,36)

InChI Key

YHVFGHKHKQTTCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.812

Distribution Coefficient, logD

7.811

Water Solubility, LogSw

-5.66

Polar Surface Area

92.446

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

K615-0053 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K615-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K615-0053?
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What is the minimum amount of K615-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K615-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K615-0053
  • 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 K615-0053 available by request