V030-6478 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide

V030-6478 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
V030-6478 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6478
2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide

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

V030-6478

Molecular Formula

C24H23F6N5O3S (C24 H23 F6 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H23F6N5O3S/c1-4-12(2)18(19(36)33-22-35-34-20(39-22)13-6-5-7-17(8-13)38-3)32-21(37)31-16-10-14(23(25,26)27)9-15(11-16)24(28,29)30/h5-12,18H,4H2,1-3H3,(H2,31,32,37)(H,33,35,36)

InChI Key

KFBFAEHCBJCDHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19723712

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

575.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.134

Distribution Coefficient, logD

7.130

Water Solubility, LogSw

-5.70

Polar Surface Area

87.396

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with V030-6478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6478?
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What is the minimum amount of V030-6478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6478
  • 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 V030-6478 available by request