8010-3488 Screening compound: 2-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate

8010-3488 Screening compound: 2-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate
8010-3488 Screening compound: 2-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3488
2-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate

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

8010-3488

Molecular Formula

C28H25N3O5S (C28 H25 N3 O5 S)

Compound Name

2-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate

IUPAC name

{[3-(methoxycarbonyl)-4H5H6H-cyclopenta[b]thiophen-2-yl]carbamoyl}methyl 5-methyl-13-diphenyl-1H-pyrazole-4-carboxylate

SMILES

Cc1c(C(OCC(Nc2c(C(OC)=O)c(CCC3)c3s2)=O)=O)c(-c2ccccc2)nn1-c1ccccc1

InChI

InChI=1S/C28H25N3O5S/c1-17-23(25(18-10-5-3-6-11-18)30-31(17)19-12-7-4-8-13-19)28(34)36-16-22(32)29-26-24(27(33)35-2)20-14-9-15-21(20)37-26/h3-8,10-13H,9,14-16H2,1-2H3,(H,29,32)

InChI Key

BUBNXBZVEJPKFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01871931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.671

Distribution Coefficient, logD

2.780

Water Solubility, LogSw

-4.61

Polar Surface Area

79.840

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8010-3488 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-3488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3488?
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What is the minimum amount of 8010-3488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3488
  • 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 8010-3488 available by request