V020-5850 Screening compound: methyl 3,5-dimethyl-4-(2-{3-methyl-N-[(pyridin-3-yl)methyl]butanamido}acetyl)-1H-pyrrole-2-carboxylate

V020-5850 Screening compound: methyl 3,5-dimethyl-4-(2-{3-methyl-N-[(pyridin-3-yl)methyl]butanamido}acetyl)-1H-pyrrole-2-carboxylate
V020-5850 Screening compound: methyl 3,5-dimethyl-4-(2-{3-methyl-N-[(pyridin-3-yl)methyl]butanamido}acetyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5850
methyl 3,5-dimethyl-4-(2-{3-methyl-N-[(pyridin-3-yl)methyl]butanamido}acetyl)-1H-pyrrole-2-carboxylate

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

V020-5850

Molecular Formula

C21H27N3O4 (C21 H27 N3 O4)

Compound Name

methyl 3,5-dimethyl-4-(2-{3-methyl-N-[(pyridin-3-yl)methyl]butanamido}acetyl)-1H-pyrrole-2-carboxylate

IUPAC name

methyl 35-dimethyl-4-(2-{3-methyl-N-[(pyridin-3-yl)methyl]butanamido}acetyl)-1H-pyrrole-2-carboxylate

SMILES

CC(C)CC(N(CC(c1c(C)[nH]c(C(OC)=O)c1C)=O)Cc1cnccc1)=O

InChI

InChI=1S/C21H27N3O4/c1-13(2)9-18(26)24(11-16-7-6-8-22-10-16)12-17(25)19-14(3)20(21(27)28-5)23-15(19)4/h6-8,10,13,23H,9,11-12H2,1-5H3

InChI Key

ZLJZRCJEPMXBLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14254364

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.022

Distribution Coefficient, logD

2.022

Water Solubility, LogSw

-1.98

Polar Surface Area

70.842

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V020-5850 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V020-5850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5850?
Check Price and Availability of V020-5850, 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 V020-5850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5850
  • 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 V020-5850 available by request