8640-0630 Screening compound: methyl [(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio]acetate

8640-0630 Screening compound: methyl [(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio]acetate
8640-0630 Screening compound: methyl [(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0630
methyl [(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio]acetate

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

8640-0630

Molecular Formula

C20H23N3O3S2 (C20 H23 N3 O3 S2)

Compound Name

methyl [(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio]acetate

IUPAC name

methyl 2-({44-dimethyl-8-propyl-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-yl}sulfanyl)acetate

SMILES

CCCc1c(COC(C)(C)C2)c2c(c2ncnc(SCC(OC)=O)c2s2)c2n1

InChI

InChI=1S/C20H23N3O3S2/c1-5-6-13-12-8-26-20(2,3)7-11(12)15-16-17(28-18(15)23-13)19(22-10-21-16)27-9-14(24)25-4/h10H,5-9H2,1-4H3

InChI Key

MRRSXOWXQHHNCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02239120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.64

Polar Surface Area

59.848

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8640-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0630?
Check Price and Availability of 8640-0630, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8640-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0630
  • 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 8640-0630 available by request