Y600-2603 Screening compound: 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-1-(4-fluorobenzyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione

Y600-2603 Screening compound: 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-1-(4-fluorobenzyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
Y600-2603 Screening compound: 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-1-(4-fluorobenzyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-2603
5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-1-(4-fluorobenzyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione

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

Y600-2603

Molecular Formula

C29H21FN4O4S (C29 H21 FN4 O4 S)

Compound Name

5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-1-(4-fluorobenzyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione

IUPAC name

5-[(2H-13-benzodioxol-5-yl)methyl]-2-(13-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-4-methyl-1H2H3H5H6H-pyrazolo[43-c]pyridine-36-dione

SMILES

CC(N(Cc(cc1)cc2c1OCO2)C(C=C1N(Cc(cc2)ccc2F)N2c3nc(cccc4)c4s3)=O)=C1C2=O

InChI

InChI=1S/C29H21FN4O4S/c1-17-27-22(13-26(35)32(17)14-19-8-11-23-24(12-19)38-16-37-23)33(15-18-6-9-20(30)10-7-18)34(28(27)36)29-31-21-4-2-3-5-25(21)39-29/h2-13H,14-16H2,1H3

InChI Key

GTGANAYTFNKERH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.145

Distribution Coefficient, logD

5.145

Water Solubility, LogSw

-5.05

Polar Surface Area

61.369

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.79

References: we are preparing a list of scientific research reports with Y600-2603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-2603?
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What is the minimum amount of Y600-2603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-2603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-2603
  • 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 Y600-2603 available by request