C885-4572 Screening compound: 2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C885-4572 Screening compound: 2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
C885-4572 Screening compound: 2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-4572
2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[(3,4,5-trimethoxyphenyl)methyl]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

C885-4572

Molecular Formula

C21H27N5O5S (C21 H27 N5 O5 S)

Compound Name

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

IUPAC name

2-[methyl({5-oxo-7-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl})amino]-N-[(345-trimethoxyphenyl)methyl]acetamide

SMILES

CCCC(N=C1SC(N(C)CC(NCc(cc2OC)cc(OC)c2OC)=O)=NN11)=CC1=O

InChI

InChI=1S/C21H27N5O5S/c1-6-7-14-10-18(28)26-20(23-14)32-21(24-26)25(2)12-17(27)22-11-13-8-15(29-3)19(31-5)16(9-13)30-4/h8-10H,6-7,11-12H2,1-5H3,(H,22,27)

InChI Key

NSRUGADBMRTNLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.169

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-2.68

Polar Surface Area

88.530

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C885-4572 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C885-4572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4572?
Check Price and Availability of C885-4572, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C885-4572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4572
  • 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 C885-4572 available by request