V006-5096 Screening compound: 3-(2-methylphenyl)-1-{4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl}urea

V006-5096 Screening compound: 3-(2-methylphenyl)-1-{4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl}urea
V006-5096 Screening compound: 3-(2-methylphenyl)-1-{4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5096
3-(2-methylphenyl)-1-{4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]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

V006-5096

Molecular Formula

C32H30N4O3 (C32 H30 N4 O3)

Compound Name

3-(2-methylphenyl)-1-{4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl}urea

IUPAC name

3-(2-methylphenyl)-1-{4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl}urea

SMILES

Cc(cccc1)c1NC(Nc(cc1)ccc1N(CC1)CCN1C(C1c(cccc2)c2Oc2c1cccc2)=O)=O

InChI

InChI=1S/C32H30N4O3/c1-22-8-2-5-11-27(22)34-32(38)33-23-14-16-24(17-15-23)35-18-20-36(21-19-35)31(37)30-25-9-3-6-12-28(25)39-29-13-7-4-10-26(29)30/h2-17,30H,18-21H2,1H3,(H2,33,34,38)

InChI Key

OMPXFPSHTAGYIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19730877

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.517

Distribution Coefficient, logD

0.007

Water Solubility, LogSw

-5.51

Polar Surface Area

58.566

Acid Dissociation Constant (pKa)

1.89

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

V006-5096 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-5096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5096?
Check Price and Availability of V006-5096, 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 V006-5096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5096
  • 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 V006-5096 available by request