5510-0867 Screening compound: 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

5510-0867 Screening compound: 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
5510-0867 Screening compound: 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5510-0867
2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

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

5510-0867

Molecular Formula

C17H18BrN3O2S (C17 H18 BrN3 O2 S)

Compound Name

2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

IUPAC name

5-(5-bromo-2-hydroxy-3-methylphenyl)-11-methyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)3-trien-3-ol

SMILES

Cc1cc(Br)cc(C(Nc2c3c(CCN(C)C4)c4s2)N=C3O)c1O

InChI

InChI=1S/C17H18BrN3O2S/c1-8-5-9(18)6-11(14(8)22)15-19-16(23)13-10-3-4-21(2)7-12(10)24-17(13)20-15/h5-6,15,20,22H,3-4,7H2,1-2H3,(H,19,23)/t15-/m1/s1

InChI Key

AAZKRMIWHXUKLP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14710627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.52

Polar Surface Area

54.498

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 5510-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5510-0867?
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What is the minimum amount of 5510-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5510-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5510-0867
  • 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 5510-0867 available by request