G595-1249 Screening compound: N~3~-[2-(1-azepanyl)ethyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

G595-1249 Screening compound: N~3~-[2-(1-azepanyl)ethyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
G595-1249 Screening compound: N~3~-[2-(1-azepanyl)ethyl]-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 G595-1249
N~3~-[2-(1-azepanyl)ethyl]-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

G595-1249

Molecular Formula

C21H30N4O2S (C21 H30 N4 O2 S)

Compound Name

N~3~-[2-(1-azepanyl)ethyl]-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-[2-(azepan-1-yl)ethyl]-3-oxo-8-thia-26-diazatricyclo[7.6.0.0^{27}]pentadeca-1(9)46-triene-4-carboxamide

SMILES

O=C(C1=CN=C2SC(CCCCCC3)=C3N2C1=O)NCCN1CCCCCC1

InChI

InChI=1S/C21H30N4O2S/c26-19(22-11-14-24-12-7-3-4-8-13-24)16-15-23-21-25(20(16)27)17-9-5-1-2-6-10-18(17)28-21/h15H,1-14H2,(H,22,26)

InChI Key

KNADMDGBRZFTLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

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

2.549

Distribution Coefficient, logD

0.661

Water Solubility, LogSw

-2.55

Polar Surface Area

54.523

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with G595-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G595-1249?
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What is the minimum amount of G595-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G595-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G595-1249
  • 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 G595-1249 available by request