V007-1912 Screening compound: 5-{[(4-chloroanilino)carbonyl]amino}-2-[3,4-dihydro-2(1H)-isoquinolinyl]-N~1~-phenethylbenzamide

V007-1912 Screening compound: 5-{[(4-chloroanilino)carbonyl]amino}-2-[3,4-dihydro-2(1H)-isoquinolinyl]-N~1~-phenethylbenzamide
V007-1912 Screening compound: 5-{[(4-chloroanilino)carbonyl]amino}-2-[3,4-dihydro-2(1H)-isoquinolinyl]-N~1~-phenethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-1912
5-{[(4-chloroanilino)carbonyl]amino}-2-[3,4-dihydro-2(1H)-isoquinolinyl]-N~1~-phenethylbenzamide

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

V007-1912

Molecular Formula

C31H29ClN4O2 (C31 H29 ClN4 O2)

Compound Name

5-{[(4-chloroanilino)carbonyl]amino}-2-[3,4-dihydro-2(1H)-isoquinolinyl]-N~1~-phenethylbenzamide

IUPAC name

5-{[(4-chlorophenyl)carbamoyl]amino}-N-(2-phenylethyl)-2-(1234-tetrahydroisoquinolin-2-yl)benzamide

SMILES

O=C(c(cc(cc1)NC(Nc(cc2)ccc2Cl)=O)c1N(CC1)Cc2c1cccc2)NCCc1ccccc1

InChI

InChI=1S/C31H29ClN4O2/c32-25-10-12-26(13-11-25)34-31(38)35-27-14-15-29(36-19-17-23-8-4-5-9-24(23)21-36)28(20-27)30(37)33-18-16-22-6-2-1-3-7-22/h1-15,20H,16-19,21H2,(H,33,37)(H2,34,35,38)

InChI Key

YMSVLLGHRIQKFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14241655

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.968

Distribution Coefficient, logD

6.968

Water Solubility, LogSw

-6.46

Polar Surface Area

59.610

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

V007-1912 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V007-1912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-1912?
Check Price and Availability of V007-1912, 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 V007-1912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-1912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-1912
  • 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 V007-1912 available by request