8015-2869 Screening compound: ethyl 3-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate

8015-2869 Screening compound: ethyl 3-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate
8015-2869 Screening compound: ethyl 3-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2869
ethyl 3-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate

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

8015-2869

Molecular Formula

C29H33N5O6S (C29 H33 N5 O6 S)

Compound Name

ethyl 3-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate

IUPAC name

ethyl 3-[2-({13-dimethyl-7-[(4-methylphenyl)methyl]-26-dioxo-2367-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate

SMILES

CCOC(CC(c(cc1)ccc1OC)NC(CSc1nc(N(C)C(N(C)C2=O)=O)c2n1Cc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C29H33N5O6S/c1-6-40-24(36)15-22(20-11-13-21(39-5)14-12-20)30-23(35)17-41-28-31-26-25(27(37)33(4)29(38)32(26)3)34(28)16-19-9-7-18(2)8-10-19/h7-14,22H,6,15-17H2,1-5H3,(H,30,35)/t22-/m0/s1

InChI Key

ZJILGJSIAZTAJW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04060402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.68

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

4.483

Water Solubility, LogSw

-4.18

Polar Surface Area

94.819

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

8015-2869 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8015-2869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2869?
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What is the minimum amount of 8015-2869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2869
  • 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 8015-2869 available by request