D336-6989 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl furan-2-carboxylate

D336-6989 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl furan-2-carboxylate
D336-6989 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-6989
4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl furan-2-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

D336-6989

Molecular Formula

C18H16BrN3O6S (C18 H16 BrN3 O6 S)

Compound Name

4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl furan-2-carboxylate

IUPAC name

4-(3-acetyl-5-acetamido-23-dihydro-134-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl furan-2-carboxylate

SMILES

CC(NC(SC1c(cc2OC)cc(Br)c2OC(c2ccco2)=O)=NN1C(C)=O)=O

InChI

InChI=1S/C18H16BrN3O6S/c1-9(23)20-18-21-22(10(2)24)16(29-18)11-7-12(19)15(14(8-11)26-3)28-17(25)13-5-4-6-27-13/h4-8,16H,1-3H3,(H,20,21,23)/t16-/m0/s1

InChI Key

UBVSAPUVLMDDIT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14820299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.574

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-3.10

Polar Surface Area

87.902

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D336-6989 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D336-6989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-6989?
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What is the minimum amount of D336-6989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-6989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-6989
  • 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 D336-6989 available by request