V028-1176 Screening compound: methyl 4-{2-[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]acetyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

V028-1176 Screening compound: methyl 4-{2-[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]acetyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
V028-1176 Screening compound: methyl 4-{2-[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]acetyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1176
methyl 4-{2-[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]acetyl}-3,5-dimethyl-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

V028-1176

Molecular Formula

C19H29N3O4 (C19 H29 N3 O4)

Compound Name

methyl 4-{2-[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]acetyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{2-[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]acetyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CC(C)(C)NC(N(CC1CC1)CC(c1c(C)[nH]c(C(OC)=O)c1C)=O)=O

InChI

InChI=1S/C19H29N3O4/c1-11-15(12(2)20-16(11)17(24)26-6)14(23)10-22(9-13-7-8-13)18(25)21-19(3,4)5/h13,20H,7-10H2,1-6H3,(H,21,25)

InChI Key

RAHVXZCWCIZQFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19810399

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.953

Distribution Coefficient, logD

2.953

Water Solubility, LogSw

-3.17

Polar Surface Area

71.342

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

V028-1176 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V028-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1176?
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What is the minimum amount of V028-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1176
  • 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 V028-1176 available by request