8015-7287 Screening compound: N~1~-[5-(4-methylbenzyl)-1,3,4-thiadiazol-2-yl]-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide

8015-7287 Screening compound: N~1~-[5-(4-methylbenzyl)-1,3,4-thiadiazol-2-yl]-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide
8015-7287 Screening compound: N~1~-[5-(4-methylbenzyl)-1,3,4-thiadiazol-2-yl]-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7287
N~1~-[5-(4-methylbenzyl)-1,3,4-thiadiazol-2-yl]-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide

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

8015-7287

Molecular Formula

C27H28N4O3S2 (C27 H28 N4 O3 S2)

Compound Name

N~1~-[5-(4-methylbenzyl)-1,3,4-thiadiazol-2-yl]-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide

IUPAC name

4-(N-methylbenzenesulfonamido)-N-{5-[(4-methylphenyl)methyl]-134-thiadiazol-2-yl}-3-phenylbutanamide

SMILES

Cc1ccc(Cc2nnc(NC(CC(CN(C)S(c3ccccc3)(=O)=O)c3ccccc3)=O)s2)cc1

InChI

InChI=1S/C27H28N4O3S2/c1-20-13-15-21(16-14-20)17-26-29-30-27(35-26)28-25(32)18-23(22-9-5-3-6-10-22)19-31(2)36(33,34)24-11-7-4-8-12-24/h3-16,23H,17-19H2,1-2H3,(H,28,30,32)/t23-/m0/s1

InChI Key

DYAUDXDLKYLYGS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD05257965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.477

Water Solubility, LogSw

-5.39

Polar Surface Area

79.449

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with 8015-7287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7287?
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What is the minimum amount of 8015-7287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7287
  • 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 8015-7287 available by request