V004-4526 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide

V004-4526 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
V004-4526 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4526
2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide

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

V004-4526

Molecular Formula

C23H21F6N5O2S (C23 H21 F6 N5 O2 S)

Compound Name

2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide

IUPAC name

2-({[35-bis(trifluoromethyl)phenyl]carbamoyl}amino)-3-methyl-N-[5-(3-methylphenyl)-134-thiadiazol-2-yl]butanamide

SMILES

CC(C)C(C(Nc1nnc(-c2cc(C)ccc2)s1)=O)NC(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O

InChI

InChI=1S/C23H21F6N5O2S/c1-11(2)17(18(35)32-21-34-33-19(37-21)13-6-4-5-12(3)7-13)31-20(36)30-16-9-14(22(24,25)26)8-15(10-16)23(27,28)29/h4-11,17H,1-3H3,(H2,30,31,36)(H,32,34,35)/t17-/m0/s1

InChI Key

CBMUXMCJEHAKPQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19729333

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.663

Distribution Coefficient, logD

6.659

Water Solubility, LogSw

-5.70

Polar Surface Area

79.852

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with V004-4526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4526?
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What is the minimum amount of V004-4526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4526
  • 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 V004-4526 available by request