D336-7069 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzoate

D336-7069 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzoate
D336-7069 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-7069
4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzoate

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

D336-7069

Molecular Formula

C19H16BrN3O4S (C19 H16 BrN3 O4 S)

Compound Name

4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzoate

IUPAC name

4-(3-acetyl-5-acetamido-23-dihydro-134-thiadiazol-2-yl)-2-bromophenyl benzoate

SMILES

CC(NC(SC1c(cc2)cc(Br)c2OC(c2ccccc2)=O)=NN1C(C)=O)=O

InChI

InChI=1S/C19H16BrN3O4S/c1-11(24)21-19-22-23(12(2)25)17(28-19)14-8-9-16(15(20)10-14)27-18(26)13-6-4-3-5-7-13/h3-10,17H,1-2H3,(H,21,22,24)/t17-/m0/s1

InChI Key

GAWUWUBWJNZLER-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14820304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.60

Polar Surface Area

71.607

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with D336-7069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-7069?
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What is the minimum amount of D336-7069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-7069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-7069
  • 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 D336-7069 available by request