F081-0861 Screening compound: N~1~-(4-bromophenyl)-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]acetamide

F081-0861 Screening compound: N~1~-(4-bromophenyl)-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]acetamide
F081-0861 Screening compound: N~1~-(4-bromophenyl)-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]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-0861
N~1~-(4-bromophenyl)-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]acetamide

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

F081-0861

Molecular Formula

C22H19BrN4O2S2 (C22 H19 BrN4 O2 S2)

Compound Name

N~1~-(4-bromophenyl)-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]acetamide

IUPAC name

N-(4-bromophenyl)-2-({55-dimethyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)2811(16)1214-hexaen-15-yl}sulfanyl)acetamide

SMILES

CC(C)(Cc1n2)OCc1cc1c2sc2c1ncnc2SCC(Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C22H19BrN4O2S2/c1-22(2)8-16-12(9-29-22)7-15-18-19(31-20(15)27-16)21(25-11-24-18)30-10-17(28)26-14-5-3-13(23)4-6-14/h3-7,11H,8-10H2,1-2H3,(H,26,28)

InChI Key

NRUBNPAKBSYEGE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.45

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

5.499

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.52

Polar Surface Area

62.382

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with F081-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-0861?
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What is the minimum amount of F081-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-0861
  • 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 F081-0861 available by request