8006-4657 Screening compound: 2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]-6-nitrobenzoic acid

8006-4657 Screening compound: 2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]-6-nitrobenzoic acid
8006-4657 Screening compound: 2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]-6-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4657
2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]-6-nitrobenzoic 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

8006-4657

Molecular Formula

C18H15BrN2O6S (C18 H15 BrN2 O6 S)

Compound Name

2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]-6-nitrobenzoic acid

IUPAC name

2-[2-(3-bromo-4-methoxyphenyl)-13-thiazolidine-3-carbonyl]-6-nitrobenzoic acid

SMILES

COc(ccc(C1SCCN1C(c1c(C(O)=O)c([N+]([O-])=O)ccc1)=O)c1)c1Br

InChI

InChI=1S/C18H15BrN2O6S/c1-27-14-6-5-10(9-12(14)19)17-20(7-8-28-17)16(22)11-3-2-4-13(21(25)26)15(11)18(23)24/h2-6,9,17H,7-8H2,1H3,(H,23,24)/t17-/m0/s1

InChI Key

AHHVCFBYRVWLCH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00825275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.958

Distribution Coefficient, logD

-2.579

Water Solubility, LogSw

-3.45

Polar Surface Area

85.796

Acid Dissociation Constant (pKa)

1.86

Base Dissociation Constant (pKb)

-14.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8006-4657 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8006-4657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4657?
Check Price and Availability of 8006-4657, 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 8006-4657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4657
  • 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 8006-4657 available by request