3909-7631 Screening compound: ethyl 3-[2-(benzylamino)-2-oxoethyl]-2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

3909-7631 Screening compound: ethyl 3-[2-(benzylamino)-2-oxoethyl]-2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
3909-7631 Screening compound: ethyl 3-[2-(benzylamino)-2-oxoethyl]-2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-7631
ethyl 3-[2-(benzylamino)-2-oxoethyl]-2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-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

3909-7631

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

ethyl 3-[2-(benzylamino)-2-oxoethyl]-2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 3-[(benzylcarbamoyl)methyl]-25-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(CC(NCc2ccccc2)=O)C(C)=N2)=O)c2s1)=O

InChI

InChI=1S/C20H21N3O4S/c1-4-27-20(26)17-12(2)16-18(28-17)22-13(3)23(19(16)25)11-15(24)21-10-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,21,24)

InChI Key

WGUFHRFDFQQQSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.536

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-2.63

Polar Surface Area

69.513

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 3909-7631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-7631?
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What is the minimum amount of 3909-7631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-7631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-7631
  • 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 3909-7631 available by request