8015-6592 Screening compound: methyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

8015-6592 Screening compound: methyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
8015-6592 Screening compound: methyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6592
methyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

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

8015-6592

Molecular Formula

C19H23BrN4O3S2 (C19 H23 BrN4 O3 S2)

Compound Name

methyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-({[(4-bromo-13-dimethyl-1H-pyrazol-5-yl)formamido]methanethioyl}amino)-4H5H6H7H8H9H-cycloocta[b]thiophene-3-carboxylate

SMILES

Cc1nn(C)c(C(NC(Nc2c(C(OC)=O)c(CCCCCC3)c3s2)=S)=O)c1Br

InChI

InChI=1S/C19H23BrN4O3S2/c1-10-14(20)15(24(2)23-10)16(25)21-19(28)22-17-13(18(26)27-3)11-8-6-4-5-7-9-12(11)29-17/h4-9H2,1-3H3,(H2,21,22,25,28)

InChI Key

ZSFXUKVFIJOMME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-4.38

Polar Surface Area

68.328

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

References: we are preparing a list of scientific research reports with 8015-6592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6592?
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What is the minimum amount of 8015-6592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6592
  • 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 8015-6592 available by request