8015-5683 Screening compound: 4-[[(4-bromophenyl)sulfonyl](methyl)amino]-N~1~-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-phenylbutanamide

8015-5683 Screening compound: 4-[[(4-bromophenyl)sulfonyl](methyl)amino]-N~1~-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-phenylbutanamide
8015-5683 Screening compound: 4-[[(4-bromophenyl)sulfonyl](methyl)amino]-N~1~-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5683
4-[[(4-bromophenyl)sulfonyl](methyl)amino]-N~1~-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-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

8015-5683

Molecular Formula

C26H24BrClN4O4S2 (C26 H24 BrClN4 O4 S2)

Compound Name

4-[[(4-bromophenyl)sulfonyl](methyl)amino]-N~1~-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-phenylbutanamide

IUPAC name

N-{5-[(4-chlorophenoxy)methyl]-134-thiadiazol-2-yl}-4-(N-methyl4-bromobenzenesulfonamido)-3-phenylbutanamide

SMILES

CN(CC(CC(Nc1nnc(COc(cc2)ccc2Cl)s1)=O)c1ccccc1)S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C26H24BrClN4O4S2/c1-32(38(34,35)23-13-7-20(27)8-14-23)16-19(18-5-3-2-4-6-18)15-24(33)29-26-31-30-25(37-26)17-36-22-11-9-21(28)10-12-22/h2-14,19H,15-17H2,1H3,(H,29,31,33)/t19-/m0/s1

InChI Key

ILGCGWZYWLVZKV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05256884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.558

Distribution Coefficient, logD

6.126

Water Solubility, LogSw

-6.32

Polar Surface Area

86.948

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.23

References: we are preparing a list of scientific research reports with 8015-5683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5683?
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What is the minimum amount of 8015-5683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5683
  • 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 8015-5683 available by request