C258-0290 Screening compound: 3-(2,4-dimethoxyphenyl)-1-[2-(2-methylpiperidino)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C258-0290 Screening compound: 3-(2,4-dimethoxyphenyl)-1-[2-(2-methylpiperidino)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C258-0290 Screening compound: 3-(2,4-dimethoxyphenyl)-1-[2-(2-methylpiperidino)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0290
3-(2,4-dimethoxyphenyl)-1-[2-(2-methylpiperidino)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

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

C258-0290

Molecular Formula

C26H31N3O5S (C26 H31 N3 O5 S)

Compound Name

3-(2,4-dimethoxyphenyl)-1-[2-(2-methylpiperidino)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

4-(24-dimethoxyphenyl)-6-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(CCCC1)N1C(CN(c(sc1c2CCCC1)c2C(N1c(ccc(OC)c2)c2OC)=O)C1=O)=O

InChI

InChI=1S/C26H31N3O5S/c1-16-8-6-7-13-27(16)22(30)15-28-25-23(18-9-4-5-10-21(18)35-25)24(31)29(26(28)32)19-12-11-17(33-2)14-20(19)34-3/h11-12,14,16H,4-10,13,15H2,1-3H3/t16-/m0/s1

InChI Key

FCYXVJHHVJINJX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14736708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.937

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-4.35

Polar Surface Area

61.578

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C258-0290 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C258-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0290?
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What is the minimum amount of C258-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0290
  • 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 C258-0290 available by request