4307-0827 Screening compound: (3R,4R)-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl 2-bromobenzoate

4307-0827 Screening compound: (3R,4R)-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl 2-bromobenzoate
4307-0827 Screening compound: (3R,4R)-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4307-0827
(3R,4R)-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl 2-bromobenzoate

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

4307-0827

Molecular Formula

C17H21BrO3 (C17 H21 BrO3)

Compound Name

(3R,4R)-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl 2-bromobenzoate

IUPAC name

(3R4R)-4-hydroxy-477-trimethylbicyclo[4.1.0]heptan-3-yl 2-bromobenzoate

SMILES

CC1(C)C(C[C@]2(C)O)C1C[C@@H]2OC(c(cccc1)c1Br)=O

InChI

InChI=1S/C17H21BrO3/c1-16(2)11-8-14(17(3,20)9-12(11)16)21-15(19)10-6-4-5-7-13(10)18/h4-7,11-12,14,20H,8-9H2,1-3H3/t11?,12?,14-,17-/m0/s1

InChI Key

SNUNWQLQIUASAH-NXDIHJKXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.32

Polar Surface Area

35.842

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

58.82

4307-0827 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4307-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4307-0827?
Check Price and Availability of 4307-0827, 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 4307-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4307-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4307-0827
  • 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 4307-0827 available by request