8640-0165 Screening compound: 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

8640-0165 Screening compound: 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
8640-0165 Screening compound: 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0165
1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

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

8640-0165

Molecular Formula

C20H19ClN2O3S (C20 H19 ClN2 O3 S)

Compound Name

1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

4-(3-chlorophenyl)-1212-dimethyl-6-(prop-2-en-1-yl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(C)(C1)OCc2c1c(C(N(c1cccc(Cl)c1)C(N1CC=C)=O)=O)c1s2

InChI

InChI=1S/C20H19ClN2O3S/c1-4-8-22-18-16(14-10-20(2,3)26-11-15(14)27-18)17(24)23(19(22)25)13-7-5-6-12(21)9-13/h4-7,9H,1,8,10-11H2,2-3H3

InChI Key

ZUDXPACXSXOAGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03675149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.424

Distribution Coefficient, logD

4.424

Water Solubility, LogSw

-4.78

Polar Surface Area

38.975

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

-10.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8640-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0165?
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What is the minimum amount of 8640-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0165
  • 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 8640-0165 available by request