V010-9735 Screening compound: 1-[cyclopropyl(3,4-dimethoxybenzyl)amino]-3-(2-propynyloxy)-2-propanol

V010-9735 Screening compound: 1-[cyclopropyl(3,4-dimethoxybenzyl)amino]-3-(2-propynyloxy)-2-propanol
V010-9735 Screening compound: 1-[cyclopropyl(3,4-dimethoxybenzyl)amino]-3-(2-propynyloxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9735
1-[cyclopropyl(3,4-dimethoxybenzyl)amino]-3-(2-propynyloxy)-2-propanol

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

V010-9735

Molecular Formula

C18H25NO4 (C18 H25 NO4)

Compound Name

1-[cyclopropyl(3,4-dimethoxybenzyl)amino]-3-(2-propynyloxy)-2-propanol

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-N-[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]cyclopropanamine

SMILES

COc(ccc(CN(CC(COCC#C)O)C1CC1)c1)c1OC

InChI

InChI=1S/C18H25NO4/c1-4-9-23-13-16(20)12-19(15-6-7-15)11-14-5-8-17(21-2)18(10-14)22-3/h1,5,8,10,15-16,20H,6-7,9,11-13H2,2-3H3/t16-/m0/s1

InChI Key

YNTKPMZFWWJZHI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10453740

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.710

Distribution Coefficient, logD

1.468

Water Solubility, LogSw

-1.99

Polar Surface Area

43.651

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

V010-9735 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 V010-9735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9735?
Check Price and Availability of V010-9735, 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 V010-9735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9735
  • 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 V010-9735 available by request