C200-7664 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-isopropylbenzyl)propanamide

C200-7664 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-isopropylbenzyl)propanamide
C200-7664 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-isopropylbenzyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7664
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-isopropylbenzyl)propanamide

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

C200-7664

Molecular Formula

C24H29N5O2S (C24 H29 N5 O2 S)

Compound Name

3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-isopropylbenzyl)propanamide

IUPAC name

3-{8-butyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}-N-{[4-(propan-2-yl)phenyl]methyl}propanamide

SMILES

CCCCN(c1nnc(CCC(NCc2ccc(C(C)C)cc2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C24H29N5O2S/c1-4-5-13-28-23(31)22-19(12-14-32-22)29-20(26-27-24(28)29)10-11-21(30)25-15-17-6-8-18(9-7-17)16(2)3/h6-9,12,14,16H,4-5,10-11,13,15H2,1-3H3,(H,25,30)

InChI Key

KCXRVNXZHIFPFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-3.85

Polar Surface Area

65.446

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C200-7664 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C200-7664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7664?
Check Price and Availability of C200-7664, 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 C200-7664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7664
  • 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 C200-7664 available by request