K401-4506 Screening compound: N-{5-[({[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pentanamide

K401-4506 Screening compound: N-{5-[({[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pentanamide
K401-4506 Screening compound: N-{5-[({[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K401-4506
N-{5-[({[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pentanamide

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

K401-4506

Molecular Formula

C17H17N7O4S3 (C17 H17 N7 O4 S3)

Compound Name

N-{5-[({[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pentanamide

IUPAC name

N-{5-[({[5-(3-nitrophenyl)-134-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-134-thiadiazol-2-yl}pentanamide

SMILES

CCCCC(Nc1nnc(SCC(Nc2nnc(-c3cc([N+]([O-])=O)ccc3)s2)=O)s1)=O

InChI

InChI=1S/C17H17N7O4S3/c1-2-3-7-12(25)18-16-22-23-17(31-16)29-9-13(26)19-15-21-20-14(30-15)10-5-4-6-11(8-10)24(27)28/h4-6,8H,2-3,7,9H2,1H3,(H,18,22,25)(H,19,21,26)

InChI Key

HCIVEDCPHQXTTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.111

Water Solubility, LogSw

-4.15

Polar Surface Area

125.826

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with K401-4506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K401-4506?
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What is the minimum amount of K401-4506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K401-4506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K401-4506
  • 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 K401-4506 available by request