8018-7478 Screening compound: N-{7,7,8a-trimethyl-2-oxo-5-sulfanylidene-octahydroimidazo[1,2-c]pyrimidin-1-yl}-4-methoxybenzamide

8018-7478 Screening compound: N-{7,7,8a-trimethyl-2-oxo-5-sulfanylidene-octahydroimidazo[1,2-c]pyrimidin-1-yl}-4-methoxybenzamide
8018-7478 Screening compound: N-{7,7,8a-trimethyl-2-oxo-5-sulfanylidene-octahydroimidazo[1,2-c]pyrimidin-1-yl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7478
N-{7,7,8a-trimethyl-2-oxo-5-sulfanylidene-octahydroimidazo[1,2-c]pyrimidin-1-yl}-4-methoxybenzamide

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

8018-7478

Molecular Formula

C17H22N4O3S (C17 H22 N4 O3 S)

Compound Name

N-{7,7,8a-trimethyl-2-oxo-5-sulfanylidene-octahydroimidazo[1,2-c]pyrimidin-1-yl}-4-methoxybenzamide

IUPAC name

N-{778a-trimethyl-2-oxo-5-sulfanylidene-octahydroimidazo[12-c]pyrimidin-1-yl}-4-methoxybenzamide

SMILES

CC(CC(C)(C)N1)(N(CC2=O)C1=S)N2NC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C17H22N4O3S/c1-16(2)10-17(3)20(15(25)18-16)9-13(22)21(17)19-14(23)11-5-7-12(24-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,18,25)(H,19,23)/t17-/m0/s1

InChI Key

ABIVWHJEPMINFW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08142910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.599

Distribution Coefficient, logD

1.150

Water Solubility, LogSw

-2.36

Polar Surface Area

64.532

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

8018-7478 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-7478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7478?
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What is the minimum amount of 8018-7478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7478
  • 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 8018-7478 available by request