8009-9480 Screening compound: methyl 2-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate

8009-9480 Screening compound: methyl 2-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
8009-9480 Screening compound: methyl 2-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9480
methyl 2-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate

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

8009-9480

Molecular Formula

C17H21BrN4O4S (C17 H21 BrN4 O4 S)

Compound Name

methyl 2-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate

IUPAC name

methyl 2-(4-bromo-1-methyl-1H-pyrazole-3-amido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

SMILES

CCN(CC)C(c1c(C)c(C(OC)=O)c(NC(c2nn(C)cc2Br)=O)s1)=O

InChI

InChI=1S/C17H21BrN4O4S/c1-6-22(7-2)16(24)13-9(3)11(17(25)26-5)15(27-13)19-14(23)12-10(18)8-21(4)20-12/h8H,6-7H2,1-5H3,(H,19,23)

InChI Key

YQLSZLPCBQITDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.002

Distribution Coefficient, logD

-1.171

Water Solubility, LogSw

-2.61

Polar Surface Area

75.585

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with 8009-9480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9480?
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What is the minimum amount of 8009-9480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9480
  • 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 8009-9480 available by request