8015-0567 Screening compound: ethyl 4-[2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate

8015-0567 Screening compound: ethyl 4-[2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate
8015-0567 Screening compound: ethyl 4-[2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0567
ethyl 4-[2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-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

8015-0567

Molecular Formula

C25H23Cl2N5O5S (C25 H23 Cl2 N5 O5 S)

Compound Name

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

IUPAC name

ethyl 4-[2-({1-[(24-dichlorophenyl)methyl]-37-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1nc(N(C)C(N(Cc(ccc(Cl)c2)c2Cl)C2=O)=O)c2n1C)=O)=O

InChI

InChI=1S/C25H23Cl2N5O5S/c1-4-37-23(35)14-6-9-17(10-7-14)28-19(33)13-38-24-29-21-20(30(24)2)22(34)32(25(36)31(21)3)12-15-5-8-16(26)11-18(15)27/h5-11H,4,12-13H2,1-3H3,(H,28,33)

InChI Key

NFAOCCZKYDSTPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.240

Distribution Coefficient, logD

5.240

Water Solubility, LogSw

-5.73

Polar Surface Area

87.962

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8015-0567 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0567?
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What is the minimum amount of 8015-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0567
  • 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 8015-0567 available by request