G531-0217 Screening compound: ethyl 3-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)-3-phenylpropanoate

G531-0217 Screening compound: ethyl 3-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)-3-phenylpropanoate
G531-0217 Screening compound: ethyl 3-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0217
ethyl 3-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)-3-phenylpropanoate

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

G531-0217

Molecular Formula

C21H30N4O3 (C21 H30 N4 O3)

Compound Name

ethyl 3-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)-3-phenylpropanoate

IUPAC name

ethyl 3-({methyl[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)-3-phenylpropanoate

SMILES

CCOC(CC(c1ccccc1)NC(N(C)CCc1c(C)n(C)nc1C)=O)=O

InChI

InChI=1S/C21H30N4O3/c1-6-28-20(26)14-19(17-10-8-7-9-11-17)22-21(27)24(4)13-12-18-15(2)23-25(5)16(18)3/h7-11,19H,6,12-14H2,1-5H3,(H,22,27)/t19-/m0/s1

InChI Key

OPIONLCPAHPEBR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27142675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-2.68

Polar Surface Area

61.139

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with G531-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0217?
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What is the minimum amount of G531-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0217
  • 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 G531-0217 available by request