4180-1943 Screening compound: N-(2-ethylphenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide

4180-1943 Screening compound: N-(2-ethylphenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
4180-1943 Screening compound: N-(2-ethylphenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4180-1943
N-(2-ethylphenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide

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

4180-1943

Molecular Formula

C18H21N5O3S (C18 H21 N5 O3 S)

Compound Name

N-(2-ethylphenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide

IUPAC name

N-(2-ethylphenyl)-2-[(137-trimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide

SMILES

CCc(cccc1)c1NC(CSc1nc(N(C)C(N(C)C2=O)=O)c2n1C)=O

InChI

InChI=1S/C18H21N5O3S/c1-5-11-8-6-7-9-12(11)19-13(24)10-27-17-20-15-14(21(17)2)16(25)23(4)18(26)22(15)3/h6-9H,5,10H2,1-4H3,(H,19,24)

InChI Key

NTUMICHIIABCOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03122334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-2.97

Polar Surface Area

66.548

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4180-1943 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4180-1943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4180-1943?
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What is the minimum amount of 4180-1943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4180-1943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4180-1943
  • 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 4180-1943 available by request