K403-1224 Screening compound: ethyl 2-{2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

K403-1224 Screening compound: ethyl 2-{2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
K403-1224 Screening compound: ethyl 2-{2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-1224
ethyl 2-{2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

K403-1224

Molecular Formula

C33H37N5O7S2 (C33 H37 N5 O7 S2)

Compound Name

ethyl 2-{2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[(5-{[(34-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-4H-124-triazol-3-yl)sulfanyl]propanamido}-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)Sc2nnc(CNC(c(cc3)cc(OC)c3OC)=O)n2-c(cc2)ccc2OCC)=O)sc2c1CCC2)=O

InChI

InChI=1S/C33H37N5O7S2/c1-6-44-22-14-12-21(13-15-22)38-27(18-34-30(40)20-11-16-24(42-4)25(17-20)43-5)36-37-33(38)46-19(3)29(39)35-31-28(32(41)45-7-2)23-9-8-10-26(23)47-31/h11-17,19H,6-10,18H2,1-5H3,(H,34,40)(H,35,39)/t19-/m0/s1

InChI Key

XPXYTCCMNLXDPC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04411558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

679.82

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

2.604

Water Solubility, LogSw

-4.67

Polar Surface Area

116.955

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

K403-1224 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K403-1224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-1224?
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What is the minimum amount of K403-1224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-1224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-1224
  • 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 K403-1224 available by request