C885-4757 Screening compound: 1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-4-carboxamide

C885-4757 Screening compound: 1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-4-carboxamide
C885-4757 Screening compound: 1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-4757
1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-4-carboxamide

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

C885-4757

Molecular Formula

C24H39N7O2S (C24 H39 N7 O2 S)

Compound Name

1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-4-carboxamide

IUPAC name

1-{5-oxo-7-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl}-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-4-carboxamide

SMILES

CCCC(N=C1SC(N(CC2)CCC2C(NCCCN2CCN(CCC)CC2)=O)=NN11)=CC1=O

InChI

InChI=1S/C24H39N7O2S/c1-3-6-20-18-21(32)31-23(26-20)34-24(27-31)30-12-7-19(8-13-30)22(33)25-9-5-11-29-16-14-28(10-4-2)15-17-29/h18-19H,3-17H2,1-2H3,(H,25,33)

InChI Key

ZIZJNWXQKPLAJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.900

Distribution Coefficient, logD

0.936

Water Solubility, LogSw

-2.30

Polar Surface Area

73.606

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with C885-4757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4757?
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What is the minimum amount of C885-4757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4757
  • 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 C885-4757 available by request