3341-0841 Screening compound: ethyl 5-nitro-2-[4-(pyrrolidine-1-sulfonyl)benzamido]thiophene-3-carboxylate

3341-0841 Screening compound: ethyl 5-nitro-2-[4-(pyrrolidine-1-sulfonyl)benzamido]thiophene-3-carboxylate
3341-0841 Screening compound: ethyl 5-nitro-2-[4-(pyrrolidine-1-sulfonyl)benzamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-0841
ethyl 5-nitro-2-[4-(pyrrolidine-1-sulfonyl)benzamido]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

3341-0841

Molecular Formula

C18H19N3O7S2 (C18 H19 N3 O7 S2)

Compound Name

ethyl 5-nitro-2-[4-(pyrrolidine-1-sulfonyl)benzamido]thiophene-3-carboxylate

IUPAC name

ethyl 5-nitro-2-[4-(pyrrolidine-1-sulfonyl)benzamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2S(N2CCCC2)(=O)=O)=O)sc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C18H19N3O7S2/c1-2-28-18(23)14-11-15(21(24)25)29-17(14)19-16(22)12-5-7-13(8-6-12)30(26,27)20-9-3-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,19,22)

InChI Key

LXNRNKZXGMEVTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

-2.542

Water Solubility, LogSw

-3.67

Polar Surface Area

109.688

Acid Dissociation Constant (pKa)

1.78

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3341-0841 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 3341-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-0841?
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What is the minimum amount of 3341-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-0841
  • 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 3341-0841 available by request