8640-0392 Screening compound: 2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N~1~-(3-methoxyphenyl)acetamide

8640-0392 Screening compound: 2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N~1~-(3-methoxyphenyl)acetamide
8640-0392 Screening compound: 2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N~1~-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0392
2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N~1~-(3-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

8640-0392

Molecular Formula

C22H25N3O3S2 (C22 H25 N3 O3 S2)

Compound Name

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

IUPAC name

2-({5-ethyl-1212-dimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide

SMILES

CCc1nc(SCC(Nc2cc(OC)ccc2)=O)c(c(CC(C)(C)OC2)c2s2)c2n1

InChI

InChI=1S/C22H25N3O3S2/c1-5-17-24-20(29-12-18(26)23-13-7-6-8-14(9-13)27-4)19-15-10-22(2,3)28-11-16(15)30-21(19)25-17/h6-9H,5,10-12H2,1-4H3,(H,23,26)

InChI Key

SQEIIMJVYINWJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03302311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

5.298

Water Solubility, LogSw

-5.50

Polar Surface Area

59.075

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 8640-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0392?
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What is the minimum amount of 8640-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0392
  • 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 8640-0392 available by request