3002-0644 Screening compound: methyl 2-[2-(4-methoxyphenoxy)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

3002-0644 Screening compound: methyl 2-[2-(4-methoxyphenoxy)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
3002-0644 Screening compound: methyl 2-[2-(4-methoxyphenoxy)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3002-0644
methyl 2-[2-(4-methoxyphenoxy)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-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

3002-0644

Molecular Formula

C19H21NO5S (C19 H21 NO5 S)

Compound Name

methyl 2-[2-(4-methoxyphenoxy)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-[2-(4-methoxyphenoxy)propanamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CC(C(Nc1c(C(OC)=O)c(CCC2)c2s1)=O)Oc(cc1)ccc1OC

InChI

InChI=1S/C19H21NO5S/c1-11(25-13-9-7-12(23-2)8-10-13)17(21)20-18-16(19(22)24-3)14-5-4-6-15(14)26-18/h7-11H,4-6H2,1-3H3,(H,20,21)/t11-/m0/s1

InChI Key

XAOAXRKDLXKJAZ-NSHDSACASA-N

MDL Number (MFCD)

MFCD02165841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.656

Distribution Coefficient, logD

1.202

Water Solubility, LogSw

-4.21

Polar Surface Area

58.917

Acid Dissociation Constant (pKa)

4.95

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

3002-0644 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3002-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3002-0644?
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What is the minimum amount of 3002-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3002-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3002-0644
  • 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 3002-0644 available by request