8018-1445 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-[(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

8018-1445 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-[(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
8018-1445 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-[(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1445
N~1~-(2,5-dimethoxyphenyl)-2-[(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]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

8018-1445

Molecular Formula

C21H23N3O4S2 (C21 H23 N3 O4 S2)

Compound Name

N~1~-(2,5-dimethoxyphenyl)-2-[(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

n/a

SMILES

COc(cc1)cc(NC(CSC(N2)=Nc(sc3c4CCCCC3)c4C2=O)=O)c1OC

InChI

InChI=1S/C21H23N3O4S2/c1-27-12-8-9-15(28-2)14(10-12)22-17(25)11-29-21-23-19(26)18-13-6-4-3-5-7-16(13)30-20(18)24-21/h8-10H,3-7,11H2,1-2H3,(H,22,25)(H,23,24,26)

InChI Key

XPPILOSCEXMFQF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-4.38

Polar Surface Area

72.281

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 8018-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1445?
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What is the minimum amount of 8018-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1445
  • 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 8018-1445 available by request