1823-0776 Screening compound: 2,3,4,5-tetrabromo-6-[(2-ethylphenyl)carbamoyl]benzoic acid

1823-0776 Screening compound: 2,3,4,5-tetrabromo-6-[(2-ethylphenyl)carbamoyl]benzoic acid
1823-0776 Screening compound: 2,3,4,5-tetrabromo-6-[(2-ethylphenyl)carbamoyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1823-0776
2,3,4,5-tetrabromo-6-[(2-ethylphenyl)carbamoyl]benzoic acid

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

1823-0776

Molecular Formula

C16H11Br4NO3 (C16 H11 Br4 NO3)

Compound Name

2,3,4,5-tetrabromo-6-[(2-ethylphenyl)carbamoyl]benzoic acid

IUPAC name

2345-tetrabromo-6-[(2-ethylphenyl)carbamoyl]benzoic acid

SMILES

CCc(cccc1)c1NC(c(c(C(O)=O)c(c(Br)c1Br)Br)c1Br)=O

InChI

InChI=1S/C16H11Br4NO3/c1-2-7-5-3-4-6-8(7)21-15(22)9-10(16(23)24)12(18)14(20)13(19)11(9)17/h3-6H,2H2,1H3,(H,21,22)(H,23,24)

InChI Key

RJBZRDNHVIKKPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00385979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.199

Distribution Coefficient, logD

0.702

Water Solubility, LogSw

-5.46

Polar Surface Area

51.040

Acid Dissociation Constant (pKa)

1.90

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1823-0776 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1823-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1823-0776?
Check Price and Availability of 1823-0776, 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 1823-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1823-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1823-0776
  • 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 1823-0776 available by request