F081-1064 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]propanamide

F081-1064 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]propanamide
F081-1064 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1064
N~1~-(3-chloro-4-methylphenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]propanamide

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

F081-1064

Molecular Formula

C24H23ClN4O2S2 (C24 H23 ClN4 O2 S2)

Compound Name

N~1~-(3-chloro-4-methylphenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]propanamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-({55-dimethyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaen-15-yl}sulfanyl)propanamide

SMILES

CC(C(Nc1cc(Cl)c(C)cc1)=O)Sc1ncnc2c1sc1c2cc(COC(C)(C)C2)c2n1

InChI

InChI=1S/C24H23ClN4O2S2/c1-12-5-6-15(8-17(12)25)28-21(30)13(2)32-23-20-19(26-11-27-23)16-7-14-10-31-24(3,4)9-18(14)29-22(16)33-20/h5-8,11,13H,9-10H2,1-4H3,(H,28,30)/t13-/m0/s1

InChI Key

VFFBDKNEXKRUOV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05685537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.516

Distribution Coefficient, logD

6.515

Water Solubility, LogSw

-6.27

Polar Surface Area

62.595

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F081-1064 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F081-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1064?
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What is the minimum amount of F081-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1064
  • 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 F081-1064 available by request