C046-0267 Screening compound: N~1~-[3-(4-ethylpiperazino)propyl]-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide

C046-0267 Screening compound: N~1~-[3-(4-ethylpiperazino)propyl]-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide
C046-0267 Screening compound: N~1~-[3-(4-ethylpiperazino)propyl]-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 C046-0267
N~1~-[3-(4-ethylpiperazino)propyl]-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

C046-0267

Molecular Formula

C25H38N6O3S (C25 H38 N6 O3 S)

Compound Name

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

IUPAC name

N-[3-(4-ethylpiperazin-1-yl)propyl]-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

CCN1CCN(CCCNC(CCCNC(CN(C=Nc2c3c(CCCC4)c4s2)C3=O)=O)=O)CC1

InChI

InChI=1S/C25H38N6O3S/c1-2-29-13-15-30(16-14-29)12-6-11-26-21(32)9-5-10-27-22(33)17-31-18-28-24-23(25(31)34)19-7-3-4-8-20(19)35-24/h18H,2-17H2,1H3,(H,26,32)(H,27,33)

InChI Key

SGJWRZQVNLWYIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.033

Distribution Coefficient, logD

-0.981

Water Solubility, LogSw

-1.64

Polar Surface Area

82.307

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

References: we are preparing a list of scientific research reports with C046-0267 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 C046-0267
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C046-0267
  • 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 C046-0267 available by request