8640-0368 Screening compound: 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide

8640-0368 Screening compound: 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide
8640-0368 Screening compound: 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0368
2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-methoxyphenyl)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

8640-0368

Molecular Formula

C20H22N4O2S3 (C20 H22 N4 O2 S3)

Compound Name

2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide

IUPAC name

2-({3-amino-1212-dimethyl-811-dithia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-5-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide

SMILES

CC(C)(C1)SCc2c1c(c(N)nc(SCC(Nc(cc1)ccc1OC)=O)n1)c1s2

InChI

InChI=1S/C20H22N4O2S3/c1-20(2)8-13-14(9-28-20)29-18-16(13)17(21)23-19(24-18)27-10-15(25)22-11-4-6-12(26-3)7-5-11/h4-7H,8-10H2,1-3H3,(H,22,25)(H2,21,23,24)

InChI Key

JLGXNCAPUZRTAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03291638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.730

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.93

Polar Surface Area

69.675

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8640-0368 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8640-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0368?
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What is the minimum amount of 8640-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0368
  • 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 8640-0368 available by request