C096-0264 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetamide

C096-0264 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetamide
C096-0264 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-0264
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetamide

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

C096-0264

Molecular Formula

C24H37N5O4S2 (C24 H37 N5 O4 S2)

Compound Name

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetamide

IUPAC name

N-[3-(35-dimethylpiperidin-1-yl)propyl]-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-3H4H-thieno[23-d]pyrimidin-3-yl]acetamide

SMILES

CC1CN(CCCNC(CN(C=Nc2c3c(S(N4CCCCC4)(=O)=O)c(C)s2)C3=O)=O)CC(C)C1

InChI

InChI=1S/C24H37N5O4S2/c1-17-12-18(2)14-27(13-17)9-7-8-25-20(30)15-28-16-26-23-21(24(28)31)22(19(3)34-23)35(32,33)29-10-5-4-6-11-29/h16-18H,4-15H2,1-3H3,(H,25,30)

InChI Key

KKGNVIISAFRKTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.72

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

1.759

Distribution Coefficient, logD

-0.846

Water Solubility, LogSw

-2.31

Polar Surface Area

86.115

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.80

C096-0264 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C096-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0264?
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What is the minimum amount of C096-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0264
  • 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 C096-0264 available by request