2038-0258 Screening compound: 5-amino-3-[(1Z)-2-[5-bromo-2-(propan-2-yloxy)phenyl]-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

2038-0258 Screening compound: 5-amino-3-[(1Z)-2-[5-bromo-2-(propan-2-yloxy)phenyl]-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
2038-0258 Screening compound: 5-amino-3-[(1Z)-2-[5-bromo-2-(propan-2-yloxy)phenyl]-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2038-0258
5-amino-3-[(1Z)-2-[5-bromo-2-(propan-2-yloxy)phenyl]-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

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

2038-0258

Molecular Formula

C18H18BrN5O2 (C18 H18 BrN5 O2)

Compound Name

5-amino-3-[(1Z)-2-[5-bromo-2-(propan-2-yloxy)phenyl]-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

IUPAC name

5-amino-3-[(1Z)-2-[5-bromo-2-(propan-2-yloxy)phenyl]-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

SMILES

CC(C)Oc(cc1)c(/C=C(/c2nn(CCO)c(N)c2C#N)\C#N)cc1Br

InChI

InChI=1S/C18H18BrN5O2/c1-11(2)26-16-4-3-14(19)8-12(16)7-13(9-20)17-15(10-21)18(22)24(23-17)5-6-25/h3-4,7-8,11,25H,5-6,22H2,1-2H3

InChI Key

DQQRFEXHNJOQGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01160824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-2.50

Polar Surface Area

91.601

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 2038-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2038-0258?
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What is the minimum amount of 2038-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2038-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2038-0258
  • 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 2038-0258 available by request