V018-3787 Screening compound: N-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

V018-3787 Screening compound: N-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
V018-3787 Screening compound: N-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3787
N-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

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

V018-3787

Molecular Formula

C21H17N3O4S (C21 H17 N3 O4 S)

Compound Name

N-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[4-(1234-tetrahydroisoquinoline-2-carbonyl)-13-thiazol-2-yl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c1csc(NC(c(cc2)cc3c2OCO3)=O)n1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H17N3O4S/c25-19(14-5-6-17-18(9-14)28-12-27-17)23-21-22-16(11-29-21)20(26)24-8-7-13-3-1-2-4-15(13)10-24/h1-6,9,11H,7-8,10,12H2,(H,22,23,25)

InChI Key

UQRVAMHWPDSPNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19976209

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.873

Water Solubility, LogSw

-4.14

Polar Surface Area

66.802

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

V018-3787 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Therapeutical Diversity Annotated Library (7563 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V018-3787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3787?
Check Price and Availability of V018-3787, 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 V018-3787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3787
  • 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 V018-3787 available by request