C046-0147 Screening compound: N~1~-(2-methoxyphenyl)-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide

C046-0147 Screening compound: N~1~-(2-methoxyphenyl)-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide
C046-0147 Screening compound: N~1~-(2-methoxyphenyl)-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C046-0147
N~1~-(2-methoxyphenyl)-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide

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

C046-0147

Molecular Formula

C23H26N4O4S (C23 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(CCCNC(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)=O)=O

InChI

InChI=1S/C23H26N4O4S/c1-31-17-9-4-3-8-16(17)26-19(28)11-6-12-24-20(29)13-27-14-25-22-21(23(27)30)15-7-2-5-10-18(15)32-22/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,24,29)(H,26,28)

InChI Key

ROIWPAHDHARGHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

1.725

Water Solubility, LogSw

-2.38

Polar Surface Area

80.557

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C046-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C046-0147
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C046-0147
  • 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 C046-0147 available by request