C794-0986 Screening compound: methyl 2-[({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]benzoate

C794-0986 Screening compound: methyl 2-[({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]benzoate
C794-0986 Screening compound: methyl 2-[({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0986
methyl 2-[({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]benzoate

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

C794-0986

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

methyl 2-[({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]benzoate

IUPAC name

methyl 2-[({1-[45-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]benzoate

SMILES

CC(c1c(-n2cccc2)sc(C)c1C)NC(Nc(cccc1)c1C(OC)=O)=O

InChI

InChI=1S/C21H23N3O3S/c1-13-15(3)28-19(24-11-7-8-12-24)18(13)14(2)22-21(26)23-17-10-6-5-9-16(17)20(25)27-4/h5-12,14H,1-4H3,(H2,22,23,26)/t14-/m0/s1

InChI Key

UCNXNKVGEZLNJQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14796276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.36

Polar Surface Area

58.557

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

C794-0986 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C794-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0986?
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What is the minimum amount of C794-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0986
  • 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 C794-0986 available by request