M474-0144 Screening compound: methyl 4-{[1-(4-bromophenyl)-N-(butan-2-yl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

M474-0144 Screening compound: methyl 4-{[1-(4-bromophenyl)-N-(butan-2-yl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
M474-0144 Screening compound: methyl 4-{[1-(4-bromophenyl)-N-(butan-2-yl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M474-0144
methyl 4-{[1-(4-bromophenyl)-N-(butan-2-yl)formamido]methyl}-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

M474-0144

Molecular Formula

C20H25BrN2O3 (C20 H25 BrN2 O3)

Compound Name

methyl 4-{[1-(4-bromophenyl)-N-(butan-2-yl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{[1-(4-bromophenyl)-N-(butan-2-yl)formamido]methyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCC(C)N(Cc1c(C)[nH]c(C(OC)=O)c1C)C(c(cc1)ccc1Br)=O

InChI

InChI=1S/C20H25BrN2O3/c1-6-12(2)23(19(24)15-7-9-16(21)10-8-15)11-17-13(3)18(20(25)26-5)22-14(17)4/h7-10,12,22H,6,11H2,1-5H3/t12-/m0/s1

InChI Key

NHILEIZLLZOYFW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27543947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.867

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-4.60

Polar Surface Area

47.933

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with M474-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M474-0144?
Check Price and Availability of M474-0144, 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 M474-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M474-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M474-0144
  • 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 M474-0144 available by request