V010-9985 Screening compound: N-[4-[3,4-dihydro-2(1H)-isoquinolinyl]-3-(1-pyrrolidinylcarbonyl)phenyl]-N'-(3,5-dimethoxyphenyl)urea

V010-9985 Screening compound: N-[4-[3,4-dihydro-2(1H)-isoquinolinyl]-3-(1-pyrrolidinylcarbonyl)phenyl]-N'-(3,5-dimethoxyphenyl)urea
V010-9985 Screening compound: N-[4-[3,4-dihydro-2(1H)-isoquinolinyl]-3-(1-pyrrolidinylcarbonyl)phenyl]-N'-(3,5-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9985
N-[4-[3,4-dihydro-2(1H)-isoquinolinyl]-3-(1-pyrrolidinylcarbonyl)phenyl]-N'-(3,5-dimethoxyphenyl)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

V010-9985

Molecular Formula

C29H32N4O4 (C29 H32 N4 O4)

Compound Name

N-[4-[3,4-dihydro-2(1H)-isoquinolinyl]-3-(1-pyrrolidinylcarbonyl)phenyl]-N'-(3,5-dimethoxyphenyl)urea

IUPAC name

3-(35-dimethoxyphenyl)-1-[3-(pyrrolidine-1-carbonyl)-4-(1234-tetrahydroisoquinolin-2-yl)phenyl]urea

SMILES

COc1cc(NC(Nc(cc2)cc(C(N3CCCC3)=O)c2N(CC2)Cc3c2cccc3)=O)cc(OC)c1

InChI

InChI=1S/C29H32N4O4/c1-36-24-15-23(16-25(18-24)37-2)31-29(35)30-22-9-10-27(26(17-22)28(34)32-12-5-6-13-32)33-14-11-20-7-3-4-8-21(20)19-33/h3-4,7-10,15-18H,5-6,11-14,19H2,1-2H3,(H2,30,31,35)

InChI Key

PGXDBZNMNMIOBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722886

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.612

Distribution Coefficient, logD

5.612

Water Solubility, LogSw

-5.40

Polar Surface Area

67.457

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V010-9985 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with V010-9985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9985?
Check Price and Availability of V010-9985, 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 V010-9985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9985
  • 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 V010-9985 available by request