C885-4473 Screening compound: 2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide

C885-4473 Screening compound: 2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide
C885-4473 Screening compound: 2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-4473
2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[3-(4-propylpiperazin-1-yl)propyl]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

C885-4473

Molecular Formula

C21H35N7O2S (C21 H35 N7 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H35N7O2S/c1-4-7-17-15-19(30)28-20(23-17)31-21(24-28)25(3)16-18(29)22-8-6-10-27-13-11-26(9-5-2)12-14-27/h15H,4-14,16H2,1-3H3,(H,22,29)

InChI Key

VGFABLCHMKWCEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.150

Distribution Coefficient, logD

0.185

Water Solubility, LogSw

-1.84

Polar Surface Area

73.166

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

References: we are preparing a list of scientific research reports with C885-4473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4473?
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What is the minimum amount of C885-4473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4473
  • 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 C885-4473 available by request