C430-1189 Screening compound: ethyl 2-{[(2-fluorophenyl)methyl]amino}-4-methylpyrimidine-5-carboxylate

C430-1189 Screening compound: ethyl 2-{[(2-fluorophenyl)methyl]amino}-4-methylpyrimidine-5-carboxylate
C430-1189 Screening compound: ethyl 2-{[(2-fluorophenyl)methyl]amino}-4-methylpyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-1189
ethyl 2-{[(2-fluorophenyl)methyl]amino}-4-methylpyrimidine-5-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

C430-1189

Molecular Formula

C15H16FN3O2 (C15 H16 FN3 O2)

Compound Name

ethyl 2-{[(2-fluorophenyl)methyl]amino}-4-methylpyrimidine-5-carboxylate

IUPAC name

ethyl 2-{[(2-fluorophenyl)methyl]amino}-4-methylpyrimidine-5-carboxylate

SMILES

CCOC(c1c(C)nc(NCc(cccc2)c2F)nc1)=O

InChI

InChI=1S/C15H16FN3O2/c1-3-21-14(20)12-9-18-15(19-10(12)2)17-8-11-6-4-5-7-13(11)16/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)

InChI Key

OLYJPTMRELGNHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.016

Distribution Coefficient, logD

3.016

Water Solubility, LogSw

-3.11

Polar Surface Area

52.031

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

References: we are preparing a list of scientific research reports with C430-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-1189?
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What is the minimum amount of C430-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-1189
  • 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 C430-1189 available by request