G531-0330 Screening compound: 3-(butan-2-yl)-1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methylurea

G531-0330 Screening compound: 3-(butan-2-yl)-1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methylurea
G531-0330 Screening compound: 3-(butan-2-yl)-1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0330
3-(butan-2-yl)-1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methylurea

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

G531-0330

Molecular Formula

C15H28N4O (C15 H28 N4 O)

Compound Name

3-(butan-2-yl)-1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methylurea

IUPAC name

3-(butan-2-yl)-1-[2-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methylurea

SMILES

CCC(C)NC(N(C)CCc1c(C)n(CC)nc1C)=O

InChI

InChI=1S/C15H28N4O/c1-7-11(3)16-15(20)18(6)10-9-14-12(4)17-19(8-2)13(14)5/h11H,7-10H2,1-6H3,(H,16,20)/t11-/m0/s1

InChI Key

SEFXGGAZJZCHPA-NSHDSACASA-N

MDL Number (MFCD)

MFCD27142760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.960

Distribution Coefficient, logD

1.959

Water Solubility, LogSw

-2.10

Polar Surface Area

40.501

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.30

G531-0330 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G531-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0330?
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What is the minimum amount of G531-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0330
  • 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 G531-0330 available by request