C046-0256 Screening compound: N~1~-{3-[benzyl(ethyl)amino]propyl}-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide

C046-0256 Screening compound: N~1~-{3-[benzyl(ethyl)amino]propyl}-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide
C046-0256 Screening compound: N~1~-{3-[benzyl(ethyl)amino]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 C046-0256
N~1~-{3-[benzyl(ethyl)amino]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

C046-0256

Molecular Formula

C28H37N5O3S (C28 H37 N5 O3 S)

Compound Name

N~1~-{3-[benzyl(ethyl)amino]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-[benzyl(ethyl)amino]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

CCN(CCCNC(CCCNC(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)=O)=O)Cc1ccccc1

InChI

InChI=1S/C28H37N5O3S/c1-2-32(18-21-10-4-3-5-11-21)17-9-16-29-24(34)14-8-15-30-25(35)19-33-20-31-27-26(28(33)36)22-12-6-7-13-23(22)37-27/h3-5,10-11,20H,2,6-9,12-19H2,1H3,(H,29,34)(H,30,35)

InChI Key

UUEMKMSWROZSCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.861

Distribution Coefficient, logD

0.214

Water Solubility, LogSw

-2.38

Polar Surface Area

78.474

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C046-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C046-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C046-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C046-0256
  • 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 C046-0256 available by request