6070-1193 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate

6070-1193 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate
6070-1193 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6070-1193
2-(4-bromophenyl)-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate

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

6070-1193

Molecular Formula

C15H12BrNO4S (C15 H12 BrNO4 S)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate

SMILES

O=C(COC(CNC(c1cccs1)=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C15H12BrNO4S/c16-11-5-3-10(4-6-11)12(18)9-21-14(19)8-17-15(20)13-2-1-7-22-13/h1-7H,8-9H2,(H,17,20)

InChI Key

ZRZVSEXFVOOKLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.42

Polar Surface Area

59.451

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6070-1193 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6070-1193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6070-1193?
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What is the minimum amount of 6070-1193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6070-1193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6070-1193
  • 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 6070-1193 available by request