0329-0187 Screening compound: 3-bromo-1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl acetate

0329-0187 Screening compound: 3-bromo-1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl acetate
0329-0187 Screening compound: 3-bromo-1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0329-0187
3-bromo-1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl 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

0329-0187

Molecular Formula

C12H9BrCl3NO5 (C12 H9 BrCl3 NO5)

Compound Name

3-bromo-1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl acetate

IUPAC name

3-bromo-111-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl acetate

SMILES

CC(OC(C(C(c(cc1)ccc1[N+]([O-])=O)=O)Br)C(Cl)(Cl)Cl)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-4.28

Polar Surface Area

67.866

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

0329-0187 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0329-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0329-0187?
Check Price and Availability of 0329-0187, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0329-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0329-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0329-0187
  • 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 0329-0187 available by request