G595-1137 Screening compound: N~3~-isopentyl-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

G595-1137 Screening compound: N~3~-isopentyl-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
G595-1137 Screening compound: N~3~-isopentyl-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G595-1137
N~3~-isopentyl-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

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

G595-1137

Molecular Formula

C18H25N3O2S (C18 H25 N3 O2 S)

Compound Name

N~3~-isopentyl-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

IUPAC name

N-(3-methylbutyl)-3-oxo-8-thia-26-diazatricyclo[7.6.0.0^{27}]pentadeca-1(9)46-triene-4-carboxamide

SMILES

CC(C)CCNC(C1=CN=C2SC(CCCCCC3)=C3N2C1=O)=O

InChI

InChI=1S/C18H25N3O2S/c1-12(2)9-10-19-16(22)13-11-20-18-21(17(13)23)14-7-5-3-4-6-8-15(14)24-18/h11-12H,3-10H2,1-2H3,(H,19,22)

InChI Key

LCOSWVLTUSEUNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.22

Polar Surface Area

50.481

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with G595-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G595-1137?
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What is the minimum amount of G595-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G595-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G595-1137
  • 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 G595-1137 available by request