Y600-1610 Screening compound: 4-{(E)-1-[(3-isopropoxypropyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one

Y600-1610 Screening compound: 4-{(E)-1-[(3-isopropoxypropyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Y600-1610 Screening compound: 4-{(E)-1-[(3-isopropoxypropyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1610
4-{(E)-1-[(3-isopropoxypropyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one

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

Y600-1610

Molecular Formula

C17H22N4O4 (C17 H22 N4 O4)

Compound Name

4-{(E)-1-[(3-isopropoxypropyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one

IUPAC name

(4E)-3-methyl-1-(4-nitrophenyl)-4-({[3-(propan-2-yloxy)propyl]amino}methylidene)-45-dihydro-1H-pyrazol-5-one

SMILES

CC(C)OCCCN/C=C(\C(C)=NN1c(cc2)ccc2[N+]([O-])=O)/C1=O

InChI

InChI=1S/C17H22N4O4/c1-12(2)25-10-4-9-18-11-16-13(3)19-20(17(16)22)14-5-7-15(8-6-14)21(23)24/h5-8,11-12,18H,4,9-10H2,1-3H3

InChI Key

ZKGYXBRZLNHDSZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.731

Distribution Coefficient, logD

1.727

Water Solubility, LogSw

-2.22

Polar Surface Area

79.415

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with Y600-1610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1610?
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What is the minimum amount of Y600-1610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1610
  • 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 Y600-1610 available by request