F018-2604 Screening compound: N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine

F018-2604 Screening compound: N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine
F018-2604 Screening compound: N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F018-2604
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine

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

F018-2604

Molecular Formula

C20H21ClN8O2S (C20 H21 ClN8 O2 S)

Compound Name

N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine

IUPAC name

N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-yl]-134-thiadiazol-2-amine

SMILES

CC(Cn1nc(C)c([N+]([O-])=O)c1C)c1nnc(Nc2nn(Cc(cccc3)c3Cl)cc2)s1

InChI

InChI=1S/C20H21ClN8O2S/c1-12(10-28-14(3)18(29(30)31)13(2)25-28)19-23-24-20(32-19)22-17-8-9-27(26-17)11-15-6-4-5-7-16(15)21/h4-9,12H,10-11H2,1-3H3,(H,22,24,26)/t12-/m0/s1

InChI Key

GPTOORLYOWKIMC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04141257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-4.22

Polar Surface Area

94.713

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with F018-2604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F018-2604?
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What is the minimum amount of F018-2604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F018-2604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F018-2604
  • 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 F018-2604 available by request