4300-0037 Screening compound: 3,4-dimethyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

4300-0037 Screening compound: 3,4-dimethyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate
4300-0037 Screening compound: 3,4-dimethyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0037
3,4-dimethyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

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

4300-0037

Molecular Formula

C22H25NO6S (C22 H25 NO6 S)

Compound Name

3,4-dimethyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

IUPAC name

34-dimethyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H5H6H-cyclopenta[b]thiophene-34-dicarboxylate

SMILES

CC(C)c(cc1)ccc1OCC(Nc1c(C(OC)=O)c(C(CC2)C(OC)=O)c2s1)=O

InChI

InChI=1S/C22H25NO6S/c1-12(2)13-5-7-14(8-6-13)29-11-17(24)23-20-19(22(26)28-4)18-15(21(25)27-3)9-10-16(18)30-20/h5-8,12,15H,9-11H2,1-4H3,(H,23,24)/t15-/m0/s1

InChI Key

HXCSDTDADANXMG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02338927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.313

Distribution Coefficient, logD

2.620

Water Solubility, LogSw

-4.40

Polar Surface Area

73.044

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

4300-0037 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4300-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0037?
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What is the minimum amount of 4300-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0037
  • 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 4300-0037 available by request