C200-0739 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide

C200-0739 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
C200-0739 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0739
N~1~-(3,4-dimethoxyphenethyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide

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

C200-0739

Molecular Formula

C29H31N3O5S (C29 H31 N3 O5 S)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[11-(34-dimethylphenyl)-1012-dioxo-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)-dien-9-yl]acetamide

SMILES

Cc(cc1)c(C)cc1N(C(c1c(N2CC(NCCc(cc3)cc(OC)c3OC)=O)sc3c1CCC3)=O)C2=O

InChI

InChI=1S/C29H31N3O5S/c1-17-8-10-20(14-18(17)2)32-27(34)26-21-6-5-7-24(21)38-28(26)31(29(32)35)16-25(33)30-13-12-19-9-11-22(36-3)23(15-19)37-4/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,30,33)

InChI Key

POINFBDGSXQWON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.33

Polar Surface Area

70.967

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

C200-0739 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C200-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0739?
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What is the minimum amount of C200-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0739
  • 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 C200-0739 available by request