8640-0695 Screening compound: methyl 2-[(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetate

8640-0695 Screening compound: methyl 2-[(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetate
8640-0695 Screening compound: methyl 2-[(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0695
methyl 2-[(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]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

8640-0695

Molecular Formula

C23H21N3O3S2 (C23 H21 N3 O3 S2)

Compound Name

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

IUPAC name

methyl 2-({44-dimethyl-8-phenyl-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

CC(C)(Cc1c2c3ncn4)OCc1c(-c1ccccc1)nc2sc3c4SCC(OC)=O

InChI

InChI=1S/C23H21N3O3S2/c1-23(2)9-14-15(10-29-23)18(13-7-5-4-6-8-13)26-21-17(14)19-20(31-21)22(25-12-24-19)30-11-16(27)28-3/h4-8,12H,9-11H2,1-3H3

InChI Key

QMDWJFHFFVWATA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04167440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.029

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-5.04

Polar Surface Area

59.081

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 8640-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0695?
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What is the minimum amount of 8640-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0695
  • 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 8640-0695 available by request