3909-9423 Screening compound: ethyl 2-{[2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)acetyl]amino}benzoate

3909-9423 Screening compound: ethyl 2-{[2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)acetyl]amino}benzoate
3909-9423 Screening compound: ethyl 2-{[2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)acetyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-9423
ethyl 2-{[2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)acetyl]amino}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

3909-9423

Molecular Formula

C23H24N4O5S (C23 H24 N4 O5 S)

Compound Name

ethyl 2-{[2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)acetyl]amino}benzoate

IUPAC name

ethyl 2-[2-(2-{3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}acetamido)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CNC(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)=O)=O)=O

InChI

InChI=1S/C23H24N4O5S/c1-2-32-23(31)14-7-3-5-9-16(14)26-18(28)11-24-19(29)12-27-13-25-21-20(22(27)30)15-8-4-6-10-17(15)33-21/h3,5,7,9,13H,2,4,6,8,10-12H2,1H3,(H,24,29)(H,26,28)

InChI Key

CQIVCBGTPPKLLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-3.46

Polar Surface Area

93.839

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with 3909-9423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-9423?
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What is the minimum amount of 3909-9423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-9423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-9423
  • 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 3909-9423 available by request