2798-0043 Screening compound: dimethyl 2-{[2-(4-chlorophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

2798-0043 Screening compound: dimethyl 2-{[2-(4-chlorophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
2798-0043 Screening compound: dimethyl 2-{[2-(4-chlorophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-0043
dimethyl 2-{[2-(4-chlorophenoxy)acetyl]amino}-5,6-dihydro-4H-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

2798-0043

Molecular Formula

C19H18ClNO6S (C19 H18 ClNO6 S)

Compound Name

dimethyl 2-{[2-(4-chlorophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

IUPAC name

34-dimethyl 2-[2-(4-chlorophenoxy)acetamido]-4H5H6H-cyclopenta[b]thiophene-34-dicarboxylate

SMILES

COC(C(CC1)c2c1sc(NC(COc(cc1)ccc1Cl)=O)c2C(OC)=O)=O

InChI

InChI=1S/C19H18ClNO6S/c1-25-18(23)12-7-8-13-15(12)16(19(24)26-2)17(28-13)21-14(22)9-27-11-5-3-10(20)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,21,22)/t12-/m0/s1

InChI Key

OIOHHOAQFKVFKF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02331731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

1.876

Water Solubility, LogSw

-4.41

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

31.58

2798-0043 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 2798-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-0043?
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What is the minimum amount of 2798-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-0043
  • 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 2798-0043 available by request