5627-0088 Screening compound: 3-(3-bromophenyl)-6,6-dimethyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

5627-0088 Screening compound: 3-(3-bromophenyl)-6,6-dimethyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
5627-0088 Screening compound: 3-(3-bromophenyl)-6,6-dimethyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5627-0088
3-(3-bromophenyl)-6,6-dimethyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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

5627-0088

Molecular Formula

C17H15BrN2O2S2 (C17 H15 BrN2 O2 S2)

Compound Name

3-(3-bromophenyl)-6,6-dimethyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

n/a

SMILES

CC(C)(C1)OCc2c1c(C(N(c1cccc(Br)c1)C(N1)=S)=O)c1s2

InChI

InChI=1S/C17H15BrN2O2S2/c1-17(2)7-11-12(8-22-17)24-14-13(11)15(21)20(16(23)19-14)10-5-3-4-9(18)6-10/h3-6H,7-8H2,1-2H3,(H,19,23)

InChI Key

ZGRDSVUAACJPMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.384

Distribution Coefficient, logD

2.904

Water Solubility, LogSw

-4.56

Polar Surface Area

34.226

Acid Dissociation Constant (pKa)

5.93

Base Dissociation Constant (pKb)

-12.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

5627-0088 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5627-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5627-0088?
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What is the minimum amount of 5627-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5627-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5627-0088
  • 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 5627-0088 available by request