8008-3382 Screening compound: ethyl 4,5-dimethyl-2-({[1-(phenylsulfonyl)-2-pyrrolidinyl]carbonyl}amino)-3-thiophenecarboxylate

8008-3382 Screening compound: ethyl 4,5-dimethyl-2-({[1-(phenylsulfonyl)-2-pyrrolidinyl]carbonyl}amino)-3-thiophenecarboxylate
8008-3382 Screening compound: ethyl 4,5-dimethyl-2-({[1-(phenylsulfonyl)-2-pyrrolidinyl]carbonyl}amino)-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3382
ethyl 4,5-dimethyl-2-({[1-(phenylsulfonyl)-2-pyrrolidinyl]carbonyl}amino)-3-thiophenecarboxylate

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

8008-3382

Molecular Formula

C20H24N2O5S2 (C20 H24 N2 O5 S2)

Compound Name

ethyl 4,5-dimethyl-2-({[1-(phenylsulfonyl)-2-pyrrolidinyl]carbonyl}amino)-3-thiophenecarboxylate

IUPAC name

ethyl 2-[1-(benzenesulfonyl)pyrrolidine-2-amido]-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(CCC2)N2S(c2ccccc2)(=O)=O)=O)sc(C)c1C)=O

InChI

InChI=1S/C20H24N2O5S2/c1-4-27-20(24)17-13(2)14(3)28-19(17)21-18(23)16-11-8-12-22(16)29(25,26)15-9-6-5-7-10-15/h5-7,9-10,16H,4,8,11-12H2,1-3H3,(H,21,23)/t16-/m0/s1

InChI Key

SWTPNIUJQBLMNM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01117235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.180

Distribution Coefficient, logD

-0.329

Water Solubility, LogSw

-3.38

Polar Surface Area

76.425

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

-5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8008-3382 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 8008-3382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3382?
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What is the minimum amount of 8008-3382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3382
  • 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 8008-3382 available by request