C604-0172 Screening compound: N~1~-(3-methoxyphenyl)-2-[(4-oxo-3-{4-oxo-4-[(tetrahydro-2-furanylmethyl)amino]butyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide

C604-0172 Screening compound: N~1~-(3-methoxyphenyl)-2-[(4-oxo-3-{4-oxo-4-[(tetrahydro-2-furanylmethyl)amino]butyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide
C604-0172 Screening compound: N~1~-(3-methoxyphenyl)-2-[(4-oxo-3-{4-oxo-4-[(tetrahydro-2-furanylmethyl)amino]butyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C604-0172
N~1~-(3-methoxyphenyl)-2-[(4-oxo-3-{4-oxo-4-[(tetrahydro-2-furanylmethyl)amino]butyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]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

C604-0172

Molecular Formula

C30H34N4O5S2 (C30 H34 N4 O5 S2)

Compound Name

N~1~-(3-methoxyphenyl)-2-[(4-oxo-3-{4-oxo-4-[(tetrahydro-2-furanylmethyl)amino]butyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide

IUPAC name

4-[4-({1-[(3-methoxyphenyl)carbamoyl]propyl}sulfanyl)-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl]-N-[(oxolan-2-yl)methyl]butanamide

SMILES

CCC(C(Nc1cc(OC)ccc1)=O)SC(N(CCCC(NCC1OCCC1)=O)C1=O)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C30H34N4O5S2/c1-3-23(28(36)32-19-9-6-10-20(17-19)38-2)41-30-33-26-22-12-4-5-13-24(22)40-27(26)29(37)34(30)15-7-14-25(35)31-18-21-11-8-16-39-21/h4-6,9-10,12-13,17,21,23H,3,7-8,11,14-16,18H2,1-2H3,(H,31,35)(H,32,36)

InChI Key

YPCHXKMLZWILNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.960

Distribution Coefficient, logD

3.960

Water Solubility, LogSw

-4.09

Polar Surface Area

88.277

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

C604-0172 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Nucleic Acid Ligands (8311 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C604-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C604-0172?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C604-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C604-0172
  • 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 C604-0172 available by request