1488-0995 Screening compound: methyl 3-{[({[pentyl(phenylsulfonyl)amino]carbonyl}amino)carbonyl]amino}-4,5-dihydro-2-thiophenecarboxylate

1488-0995 Screening compound: methyl 3-{[({[pentyl(phenylsulfonyl)amino]carbonyl}amino)carbonyl]amino}-4,5-dihydro-2-thiophenecarboxylate
1488-0995 Screening compound: methyl 3-{[({[pentyl(phenylsulfonyl)amino]carbonyl}amino)carbonyl]amino}-4,5-dihydro-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1488-0995
methyl 3-{[({[pentyl(phenylsulfonyl)amino]carbonyl}amino)carbonyl]amino}-4,5-dihydro-2-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

1488-0995

Molecular Formula

C19H25N3O6S2 (C19 H25 N3 O6 S2)

Compound Name

methyl 3-{[({[pentyl(phenylsulfonyl)amino]carbonyl}amino)carbonyl]amino}-4,5-dihydro-2-thiophenecarboxylate

IUPAC name

methyl 3-[({[(benzenesulfonyl)(pentyl)carbamoyl]amino}carbonyl)amino]-45-dihydrothiophene-2-carboxylate

SMILES

CCCCCN(C(NC(NC1=C(C(OC)=O)SCC1)=O)=O)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C19H25N3O6S2/c1-3-4-8-12-22(30(26,27)14-9-6-5-7-10-14)19(25)21-18(24)20-15-11-13-29-16(15)17(23)28-2/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H2,20,21,24,25)

InChI Key

IYELOMJFDCBROR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.045

Distribution Coefficient, logD

0.086

Water Solubility, LogSw

-3.50

Polar Surface Area

98.990

Acid Dissociation Constant (pKa)

4.44

Base Dissociation Constant (pKb)

-4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

1488-0995 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1488-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1488-0995?
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What is the minimum amount of 1488-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1488-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1488-0995
  • 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 1488-0995 available by request