3993-4149 Screening compound: 7-(4-ETHYLPHENYL)-4H,6H-PYRROLO[3',4':4,5][1,3]THIAZOLO[2,3-C][1,2,4]TRIAZINE-4,6,8(7H)-TRIONE

3993-4149 Screening compound: 7-(4-ETHYLPHENYL)-4H,6H-PYRROLO[3',4':4,5][1,3]THIAZOLO[2,3-C][1,2,4]TRIAZINE-4,6,8(7H)-TRIONE
3993-4149 Screening compound: 7-(4-ETHYLPHENYL)-4H,6H-PYRROLO[3',4':4,5][1,3]THIAZOLO[2,3-C][1,2,4]TRIAZINE-4,6,8(7H)-TRIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-4149
7-(4-ETHYLPHENYL)-4H,6H-PYRROLO[3',4':4,5][1,3]THIAZOLO[2,3-C][1,2,4]TRIAZINE-4,6,8(7H)-TRIONE

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

3993-4149

Molecular Formula

C15H10N4O3S (C15 H10 N4 O3 S)

Compound Name

7-(4-ETHYLPHENYL)-4H,6H-PYRROLO[3',4':4,5][1,3]THIAZOLO[2,3-C][1,2,4]TRIAZINE-4,6,8(7H)-TRIONE

IUPAC name

n/a

SMILES

CCc(cc1)ccc1N(C(C(N12)=C3SC2=NN=CC1=O)=O)C3=O

InChI

InChI=1S/C15H10N4O3S/c1-2-8-3-5-9(6-4-8)18-13(21)11-12(14(18)22)23-15-17-16-7-10(20)19(11)15/h3-7H,2H2,1H3

InChI Key

BXIOEXREAAZUKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.557

Distribution Coefficient, logD

1.557

Water Solubility, LogSw

-2.24

Polar Surface Area

66.633

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3993-4149 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 3993-4149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-4149?
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What is the minimum amount of 3993-4149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-4149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-4149
  • 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 3993-4149 available by request