Y600-1710 Screening compound: methyl 2-(1-(1,3-benzothiazol-2-yl)-4-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate

Y600-1710 Screening compound: methyl 2-(1-(1,3-benzothiazol-2-yl)-4-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
Y600-1710 Screening compound: methyl 2-(1-(1,3-benzothiazol-2-yl)-4-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1710
methyl 2-(1-(1,3-benzothiazol-2-yl)-4-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate

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

Y600-1710

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

methyl 2-(1-(1,3-benzothiazol-2-yl)-4-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate

IUPAC name

methyl 2-[(4E)-1-(13-benzothiazol-2-yl)-4-{[4-(dimethylamino)phenyl]methylidene}-5-oxo-45-dihydro-1H-pyrazol-3-yl]acetate

SMILES

CN(C)c1ccc(/C=C(\C(CC(OC)=O)=NN2c3nc(cccc4)c4s3)/C2=O)cc1

InChI

InChI=1S/C22H20N4O3S/c1-25(2)15-10-8-14(9-11-15)12-16-18(13-20(27)29-3)24-26(21(16)28)22-23-17-6-4-5-7-19(17)30-22/h4-12H,13H2,1-3H3

InChI Key

CDHIOASFIWLNKB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.36

Polar Surface Area

59.236

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

Y600-1710 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 Y600-1710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1710?
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What is the minimum amount of Y600-1710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1710
  • 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 Y600-1710 available by request