V001-3088 Screening compound: 3-tert-butyl-1-cyclopropyl-1-({5-[(4-methoxyphenyl)methyl]-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)urea

V001-3088 Screening compound: 3-tert-butyl-1-cyclopropyl-1-({5-[(4-methoxyphenyl)methyl]-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)urea
V001-3088 Screening compound: 3-tert-butyl-1-cyclopropyl-1-({5-[(4-methoxyphenyl)methyl]-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3088
3-tert-butyl-1-cyclopropyl-1-({5-[(4-methoxyphenyl)methyl]-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)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

V001-3088

Molecular Formula

C29H37N5O2 (C29 H37 N5 O2)

Compound Name

3-tert-butyl-1-cyclopropyl-1-({5-[(4-methoxyphenyl)methyl]-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)urea

IUPAC name

3-tert-butyl-1-cyclopropyl-1-({5-[(4-methoxyphenyl)methyl]-1-phenyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}methyl)urea

SMILES

CC(C)(C)NC(N(Cc(c1c2CCN(Cc(cc3)ccc3OC)C1)nn2-c1ccccc1)C1CC1)=O

InChI

InChI=1S/C29H37N5O2/c1-29(2,3)30-28(35)33(22-12-13-22)20-26-25-19-32(18-21-10-14-24(36-4)15-11-21)17-16-27(25)34(31-26)23-8-6-5-7-9-23/h5-11,14-15,22H,12-13,16-20H2,1-4H3,(H,30,35)

InChI Key

SSTZMZLFEDSDNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19934946

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

1.421

Water Solubility, LogSw

-4.46

Polar Surface Area

51.022

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

10.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

V001-3088 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V001-3088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3088?
Check Price and Availability of V001-3088, 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 V001-3088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3088
  • 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 V001-3088 available by request