C499-0955 Screening compound: 8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0955 Screening compound: 8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0955 Screening compound: 8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C499-0955
8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

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

C499-0955

Molecular Formula

C23H22BrN3O4S (C23 H22 BrN3 O4 S)

Compound Name

8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

IUPAC name

8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

CCOc1cc(C(CC(N2C3)=O)C(C#N)=C2SCN3c(cc2)ccc2OC)cc(Br)c1O

InChI

InChI=1S/C23H22BrN3O4S/c1-3-31-20-9-14(8-19(24)22(20)29)17-10-21(28)27-12-26(13-32-23(27)18(17)11-25)15-4-6-16(30-2)7-5-15/h4-9,17,29H,3,10,12-13H2,1-2H3/t17-/m0/s1

InChI Key

ASIYIBWLZOJZEN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD10087631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.770

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-4.40

Polar Surface Area

68.008

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C499-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0955?
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What is the minimum amount of C499-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0955
  • 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 C499-0955 available by request