8010-4403 Screening compound: ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]-5-methyl-1,3-thiazole-4-carboxylate

8010-4403 Screening compound: ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]-5-methyl-1,3-thiazole-4-carboxylate
8010-4403 Screening compound: ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]-5-methyl-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4403
ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]-5-methyl-1,3-thiazole-4-carboxylate

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

8010-4403

Molecular Formula

C16H18N6O5S (C16 H18 N6 O5 S)

Compound Name

ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]-5-methyl-1,3-thiazole-4-carboxylate

IUPAC name

ethyl 2-[2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetamido]-5-methyl-13-thiazole-4-carboxylate

SMILES

CCOC(c1c(C)sc(NC(Cn2c(C(N(C)C(N3C)=O)=O)c3nc2)=O)n1)=O

InChI

InChI=1S/C16H18N6O5S/c1-5-27-14(25)10-8(2)28-15(19-10)18-9(23)6-22-7-17-12-11(22)13(24)21(4)16(26)20(12)3/h7H,5-6H2,1-4H3,(H,18,19,23)

InChI Key

SNQCWKXCDNSOIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01994699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.119

Distribution Coefficient, logD

1.049

Water Solubility, LogSw

-2.22

Polar Surface Area

97.680

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8010-4403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4403?
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What is the minimum amount of 8010-4403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4403
  • 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 8010-4403 available by request