Y031-7624 Screening compound: N1,N1-dimethyl-N4-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)piperidine-1,4-dicarboxamide

Y031-7624 Screening compound: N1,N1-dimethyl-N4-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)piperidine-1,4-dicarboxamide
Y031-7624 Screening compound: N1,N1-dimethyl-N4-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)piperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7624
N1,N1-dimethyl-N4-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)piperidine-1,4-dicarboxamide

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

Y031-7624

Molecular Formula

C21H30N4O4 (C21 H30 N4 O4)

Compound Name

N1,N1-dimethyl-N4-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)piperidine-1,4-dicarboxamide

IUPAC name

N1N1-dimethyl-N4-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)piperidine-14-dicarboxamide

SMILES

CN(C)C(N(CC1)CCC1C(Nc(cccc1)c1C(NCC1OCCC1)=O)=O)=O

InChI

InChI=1S/C21H30N4O4/c1-24(2)21(28)25-11-9-15(10-12-25)19(26)23-18-8-4-3-7-17(18)20(27)22-14-16-6-5-13-29-16/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,22,27)(H,23,26)/t16-/m1/s1

InChI Key

OGPRMUASBHWPJY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15180731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.891

Distribution Coefficient, logD

0.889

Water Solubility, LogSw

-2.22

Polar Surface Area

73.506

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

Y031-7624 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 Y031-7624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7624?
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What is the minimum amount of Y031-7624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7624
  • 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 Y031-7624 available by request