Y041-8101 Screening compound: 4-{2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)butanoyl}-N,N-dimethylpiperazine-1-sulfonamide

Y041-8101 Screening compound: 4-{2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)butanoyl}-N,N-dimethylpiperazine-1-sulfonamide
Y041-8101 Screening compound: 4-{2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)butanoyl}-N,N-dimethylpiperazine-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8101
4-{2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)butanoyl}-N,N-dimethylpiperazine-1-sulfonamide

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

Y041-8101

Molecular Formula

C17H30N6O3S2 (C17 H30 N6 O3 S2)

Compound Name

4-{2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)butanoyl}-N,N-dimethylpiperazine-1-sulfonamide

IUPAC name

4-{2-[(46-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)butanoyl}-NN-dimethylpiperazine-1-sulfonamide

SMILES

Cc1nc(NC(CCSC)C(N(CC2)CCN2S(N(C)C)(=O)=O)=O)nc(C)c1

InChI

InChI=1S/C17H30N6O3S2/c1-13-12-14(2)19-17(18-13)20-15(6-11-27-5)16(24)22-7-9-23(10-8-22)28(25,26)21(3)4/h12,15H,6-11H2,1-5H3,(H,18,19,20)/t15-/m0/s1

InChI Key

JLPKGKRHUXBUAM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD23137400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.273

Distribution Coefficient, logD

0.273

Water Solubility, LogSw

-2.05

Polar Surface Area

82.219

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

References: we are preparing a list of scientific research reports with Y041-8101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8101?
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What is the minimum amount of Y041-8101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8101
  • 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 Y041-8101 available by request