Y503-3759 Screening compound: N~3~-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide

Y503-3759 Screening compound: N~3~-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide
Y503-3759 Screening compound: N~3~-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-3759
N~3~-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide

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

Y503-3759

Molecular Formula

C18H27N7O5S (C18 H27 N7 O5 S)

Compound Name

N~3~-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide

IUPAC name

1-[(15-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[2-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]piperidine-3-carboxamide

SMILES

Cc(n(C)nc1)c1S(N(CCC1)CC1C(NCCn1nc(C)c([N+]([O-])=O)c1C)=O)(=O)=O

InChI

InChI=1S/C18H27N7O5S/c1-12-17(25(27)28)14(3)24(21-12)9-7-19-18(26)15-6-5-8-23(11-15)31(29,30)16-10-20-22(4)13(16)2/h10,15H,5-9,11H2,1-4H3,(H,19,26)/t15-/m0/s1

InChI Key

SJTYTWSQVKBHSH-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.605

Distribution Coefficient, logD

-0.605

Water Solubility, LogSw

-1.62

Polar Surface Area

117.935

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

References: we are preparing a list of scientific research reports with Y503-3759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-3759?
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What is the minimum amount of Y503-3759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-3759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-3759
  • 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 Y503-3759 available by request