6557-0199 Screening compound: 5-methyl-2-{1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl}-4-(thiophen-2-yl)-1,3-thiazole

6557-0199 Screening compound: 5-methyl-2-{1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl}-4-(thiophen-2-yl)-1,3-thiazole
6557-0199 Screening compound: 5-methyl-2-{1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl}-4-(thiophen-2-yl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0199
5-methyl-2-{1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl}-4-(thiophen-2-yl)-1,3-thiazole

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

6557-0199

Molecular Formula

C18H18N4S2 (C18 H18 N4 S2)

Compound Name

5-methyl-2-{1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl}-4-(thiophen-2-yl)-1,3-thiazole

IUPAC name

5-methyl-2-{1457-tetramethyl-6H-pyrrolo[34-d]pyridazin-6-yl}-4-(thiophen-2-yl)-13-thiazole

SMILES

Cc1c2c(C)nnc(C)c2c(C)n1-c1nc(-c2cccs2)c(C)s1

InChI

InChI=1S/C18H18N4S2/c1-9-15-11(3)22(12(4)16(15)10(2)21-20-9)18-19-17(13(5)24-18)14-7-6-8-23-14/h6-8H,1-5H3

InChI Key

YHUPWJKQRVCZMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04156154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.085

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.46

Polar Surface Area

36.642

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

6557-0199 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6557-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0199?
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What is the minimum amount of 6557-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0199
  • 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 6557-0199 available by request