V028-6444 Screening compound: methyl 1-{[2-(4-bromophenyl)ethyl]carbamoyl}cyclopropane-1-carboxylate

V028-6444 Screening compound: methyl 1-{[2-(4-bromophenyl)ethyl]carbamoyl}cyclopropane-1-carboxylate
V028-6444 Screening compound: methyl 1-{[2-(4-bromophenyl)ethyl]carbamoyl}cyclopropane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6444
methyl 1-{[2-(4-bromophenyl)ethyl]carbamoyl}cyclopropane-1-carboxylate

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

V028-6444

Molecular Formula

C14H16BrNO3 (C14 H16 BrNO3)

Compound Name

methyl 1-{[2-(4-bromophenyl)ethyl]carbamoyl}cyclopropane-1-carboxylate

IUPAC name

methyl 1-{[2-(4-bromophenyl)ethyl]carbamoyl}cyclopropane-1-carboxylate

SMILES

COC(C1(CC1)C(NCCc(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C14H16BrNO3/c1-19-13(18)14(7-8-14)12(17)16-9-6-10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,16,17)

InChI Key

KAAPKZSZBJAHLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19976573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.120

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.66

Polar Surface Area

46.190

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V028-6444 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V028-6444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6444?
Check Price and Availability of V028-6444, 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 V028-6444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6444
  • 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 V028-6444 available by request