V025-3085 Screening compound: N-(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethyl-N-propylhexanamide

V025-3085 Screening compound: N-(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethyl-N-propylhexanamide
V025-3085 Screening compound: N-(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethyl-N-propylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-3085
N-(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethyl-N-propylhexanamide

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

V025-3085

Molecular Formula

C23H33ClN4O2S (C23 H33 ClN4 O2 S)

Compound Name

N-(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethyl-N-propylhexanamide

IUPAC name

N-(2-{[5-(4-chlorophenyl)-134-thiadiazol-2-yl]carbamoyl}ethyl)-355-trimethyl-N-propylhexanamide

SMILES

CCCN(CCC(Nc1nnc(-c(cc2)ccc2Cl)s1)=O)C(CC(C)CC(C)(C)C)=O

InChI

InChI=1S/C23H33ClN4O2S/c1-6-12-28(20(30)14-16(2)15-23(3,4)5)13-11-19(29)25-22-27-26-21(31-22)17-7-9-18(24)10-8-17/h7-10,16H,6,11-15H2,1-5H3,(H,25,27,29)/t16-/m1/s1

InChI Key

YSRVZDQQFCCYAU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19715574

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.754

Distribution Coefficient, logD

5.754

Water Solubility, LogSw

-5.96

Polar Surface Area

62.573

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

References: we are preparing a list of scientific research reports with V025-3085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-3085?
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What is the minimum amount of V025-3085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-3085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-3085
  • 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 V025-3085 available by request