1978-0773 Screening compound: 3-{5-[4-(ethanesulfonyl)butyl]-1,3,4-thiadiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]urea

1978-0773 Screening compound: 3-{5-[4-(ethanesulfonyl)butyl]-1,3,4-thiadiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]urea
1978-0773 Screening compound: 3-{5-[4-(ethanesulfonyl)butyl]-1,3,4-thiadiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1978-0773
3-{5-[4-(ethanesulfonyl)butyl]-1,3,4-thiadiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]urea

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

1978-0773

Molecular Formula

C16H19F3N4O3S2 (C16 H19 F3 N4 O3 S2)

Compound Name

3-{5-[4-(ethanesulfonyl)butyl]-1,3,4-thiadiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-{5-[4-(ethanesulfonyl)butyl]-134-thiadiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]urea

SMILES

CCS(CCCCc1nnc(NC(Nc2cc(C(F)(F)F)ccc2)=O)s1)(=O)=O

InChI

InChI=1S/C16H19F3N4O3S2/c1-2-28(25,26)9-4-3-8-13-22-23-15(27-13)21-14(24)20-12-7-5-6-11(10-12)16(17,18)19/h5-7,10H,2-4,8-9H2,1H3,(H2,20,21,23,24)

InChI Key

ALAGDEJOKPYIQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-3.95

Polar Surface Area

84.882

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

1978-0773 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 1978-0773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1978-0773?
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What is the minimum amount of 1978-0773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1978-0773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1978-0773
  • 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 1978-0773 available by request