G531-0078 Screening compound: 3-(butan-2-yl)-1-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

G531-0078 Screening compound: 3-(butan-2-yl)-1-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea
G531-0078 Screening compound: 3-(butan-2-yl)-1-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0078
3-(butan-2-yl)-1-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

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

G531-0078

Molecular Formula

C13H24N4O (C13 H24 N4 O)

Compound Name

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

IUPAC name

3-(butan-2-yl)-1-[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]urea

SMILES

CCC(C)NC(NCCc1c(C)n(C)nc1C)=O

InChI

InChI=1S/C13H24N4O/c1-6-9(2)15-13(18)14-8-7-12-10(3)16-17(5)11(12)4/h9H,6-8H2,1-5H3,(H2,14,15,18)/t9-/m0/s1

InChI Key

UYZFTFDKJFZSGX-VIFPVBQESA-N

MDL Number (MFCD)

MFCD27142635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.741

Distribution Coefficient, logD

0.740

Water Solubility, LogSw

-0.99

Polar Surface Area

49.579

Acid Dissociation Constant (pKa)

16.53

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

References: we are preparing a list of scientific research reports with G531-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0078?
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What is the minimum amount of G531-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0078
  • 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 G531-0078 available by request