C794-0993 Screening compound: 3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(4-fluorophenyl)urea

C794-0993 Screening compound: 3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(4-fluorophenyl)urea
C794-0993 Screening compound: 3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(4-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0993
3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(4-fluorophenyl)urea

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

C794-0993

Molecular Formula

C19H20FN3OS (C19 H20 FN3 OS)

Compound Name

3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(4-fluorophenyl)urea

IUPAC name

3-{1-[45-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(4-fluorophenyl)urea

SMILES

CC(c1c(-n2cccc2)sc(C)c1C)NC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C19H20FN3OS/c1-12-14(3)25-18(23-10-4-5-11-23)17(12)13(2)21-19(24)22-16-8-6-15(20)7-9-16/h4-11,13H,1-3H3,(H2,21,22,24)/t13-/m0/s1

InChI Key

IJCVQZWGKIHQLR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14796283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.48

Polar Surface Area

38.081

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with C794-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0993?
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What is the minimum amount of C794-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0993
  • 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 C794-0993 available by request