V025-9602 Screening compound: N-tert-butyl-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

V025-9602 Screening compound: N-tert-butyl-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
V025-9602 Screening compound: N-tert-butyl-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9602
N-tert-butyl-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-1,2,3,4-tetrahydroisoquinoline-2-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

V025-9602

Molecular Formula

C21H34N4O3S (C21 H34 N4 O3 S)

Compound Name

N-tert-butyl-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

IUPAC name

N-tert-butyl-67-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-1234-tetrahydroisoquinoline-2-carboxamide

SMILES

CC(C)NC(NCC(c(cc1OC)c(CC2)cc1OC)N2C(NC(C)(C)C)=O)=S

InChI

InChI=1S/C21H34N4O3S/c1-13(2)23-19(29)22-12-16-15-11-18(28-7)17(27-6)10-14(15)8-9-25(16)20(26)24-21(3,4)5/h10-11,13,16H,8-9,12H2,1-7H3,(H,24,26)(H2,22,23,29)/t16-/m0/s1

InChI Key

KRKPVWQWXFSBGW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19825604

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

422.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.807

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-3.35

Polar Surface Area

61.297

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

V025-9602 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V025-9602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9602?
Check Price and Availability of V025-9602, 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 V025-9602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9602
  • 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 V025-9602 available by request