8640-0702 Screening compound: 5-isopropyl-2,2-dimethyl-8-(4-methylpiperazino)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-10-yl methyl sulfide

8640-0702 Screening compound: 5-isopropyl-2,2-dimethyl-8-(4-methylpiperazino)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-10-yl methyl sulfide
8640-0702 Screening compound: 5-isopropyl-2,2-dimethyl-8-(4-methylpiperazino)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-10-yl methyl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0702
5-isopropyl-2,2-dimethyl-8-(4-methylpiperazino)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-10-yl methyl sulfide

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

8640-0702

Molecular Formula

C23H31N5OS2 (C23 H31 N5 OS2)

Compound Name

5-isopropyl-2,2-dimethyl-8-(4-methylpiperazino)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-10-yl methyl sulfide

IUPAC name

44-dimethyl-13-(4-methylpiperazin-1-yl)-15-(methylsulfanyl)-8-(propan-2-yl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene

SMILES

CC(C)c1c(COC(C)(C)C2)c2c(c2nc(SC)nc(N3CCN(C)CC3)c2s2)c2n1

InChI

InChI=1S/C23H31N5OS2/c1-13(2)17-15-12-29-23(3,4)11-14(15)16-18-19(31-21(16)24-17)20(26-22(25-18)30-6)28-9-7-27(5)8-10-28/h13H,7-12H2,1-6H3

InChI Key

AIUUPIBWFDBVQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04034055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.076

Distribution Coefficient, logD

5.570

Water Solubility, LogSw

-5.73

Polar Surface Area

42.988

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

8640-0702 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8640-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0702?
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What is the minimum amount of 8640-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0702
  • 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 8640-0702 available by request