V014-9859 Screening compound: 3-(4-bromophenyl)-1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}urea

V014-9859 Screening compound: 3-(4-bromophenyl)-1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}urea
V014-9859 Screening compound: 3-(4-bromophenyl)-1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9859
3-(4-bromophenyl)-1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}urea

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

V014-9859

Molecular Formula

C29H32BrN5O3 (C29 H32 BrN5 O3)

Compound Name

3-(4-bromophenyl)-1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}urea

IUPAC name

3-(4-bromophenyl)-1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}urea

SMILES

COc(cccc1)c1N(CC1)CCN1c(ccc(NC(Nc(cc1)ccc1Br)=O)c1)c1C(N1CCCC1)=O

InChI

InChI=1S/C29H32BrN5O3/c1-38-27-7-3-2-6-26(27)34-18-16-33(17-19-34)25-13-12-23(20-24(25)28(36)35-14-4-5-15-35)32-29(37)31-22-10-8-21(30)9-11-22/h2-3,6-13,20H,4-5,14-19H2,1H3,(H2,31,32,37)

InChI Key

ZJBVRLSEBIQAPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14240605

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

578.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.213

Distribution Coefficient, logD

6.213

Water Solubility, LogSw

-5.42

Polar Surface Area

63.297

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V014-9859 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V014-9859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9859?
Check Price and Availability of V014-9859, 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 V014-9859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9859
  • 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 V014-9859 available by request