Y600-3988 Screening compound: 2-(1,3-benzothiazol-2-yl)-5-(4-chlorobenzyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione

Y600-3988 Screening compound: 2-(1,3-benzothiazol-2-yl)-5-(4-chlorobenzyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
Y600-3988 Screening compound: 2-(1,3-benzothiazol-2-yl)-5-(4-chlorobenzyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-3988
2-(1,3-benzothiazol-2-yl)-5-(4-chlorobenzyl)-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

Y600-3988

Molecular Formula

C21H15ClN4O2S (C21 H15 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N(Cc(cc1)ccc1Cl)C(C=C1NN2c3nc(cccc4)c4s3)=O)=C1C2=O

InChI

InChI=1S/C21H15ClN4O2S/c1-12-19-16(10-18(27)25(12)11-13-6-8-14(22)9-7-13)24-26(20(19)28)21-23-15-4-2-3-5-17(15)29-21/h2-10,24H,11H2,1H3

InChI Key

VRBUOTNQQMMGTM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

422.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.57

Polar Surface Area

54.796

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

References: we are preparing a list of scientific research reports with Y600-3988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-3988?
Check Price and Availability of Y600-3988, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y600-3988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-3988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-3988
  • 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 Y600-3988 available by request