K403-0977 Screening compound: 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate

K403-0977 Screening compound: 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate
K403-0977 Screening compound: 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-0977
2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate

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

K403-0977

Molecular Formula

C31H32FN5O6S2 (C31 H32 FN5 O6 S2)

Compound Name

2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-124-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(C(C)Sc2nnc(CNC(c3cc(C)ccc3)=O)n2-c(cc2)ccc2F)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C31H32FN5O6S2/c1-6-42-29(40)24-18(4)25(30(41)43-7-2)45-28(24)34-26(38)19(5)44-31-36-35-23(37(31)22-13-11-21(32)12-14-22)16-33-27(39)20-10-8-9-17(3)15-20/h8-15,19H,6-7,16H2,1-5H3,(H,33,39)(H,34,38)/t19-/m0/s1

InChI Key

XHVAUUYRJSPZOH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04411345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

653.76

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.120

Distribution Coefficient, logD

3.087

Water Solubility, LogSw

-5.04

Polar Surface Area

115.038

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

K403-0977 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K403-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0977?
Check Price and Availability of K403-0977, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K403-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0977
  • 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 K403-0977 available by request