C173-0278 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide

C173-0278 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide
C173-0278 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C173-0278
N~1~-(3,4-dimethoxyphenethyl)-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide

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

C173-0278

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-{3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}propanamide

SMILES

COc(ccc(CCNC(CCC(N1)=Nc(sc2c3CCCC2)c3C1=O)=O)c1)c1OC

InChI

InChI=1S/C23H27N3O4S/c1-29-16-8-7-14(13-17(16)30-2)11-12-24-20(27)10-9-19-25-22(28)21-15-5-3-4-6-18(15)31-23(21)26-19/h7-8,13H,3-6,9-12H2,1-2H3,(H,24,27)(H,25,26,28)

InChI Key

UIEOVXGWQVKHJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.198

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-3.01

Polar Surface Area

74.297

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with C173-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C173-0278?
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What is the minimum amount of C173-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C173-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C173-0278
  • 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 C173-0278 available by request