3448-4520 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide

3448-4520 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
3448-4520 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-4520
2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide

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

3448-4520

Molecular Formula

C25H21N7O2S3 (C25 H21 N7 O2 S3)

Compound Name

2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide

IUPAC name

2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-13-benzothiazol-6-yl)propanamide

SMILES

CC(C(Nc(cc1)cc2c1nc(SCC(Nc1ccccc1)=O)s2)=O)Sc1nnnn1-c1ccccc1

InChI

InChI=1S/C25H21N7O2S3/c1-16(36-24-29-30-31-32(24)19-10-6-3-7-11-19)23(34)27-18-12-13-20-21(14-18)37-25(28-20)35-15-22(33)26-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H,26,33)(H,27,34)/t16-/m0/s1

InChI Key

TUVUBIGYFSAXHB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02642672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.133

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-4.95

Polar Surface Area

95.211

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

3448-4520 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 3448-4520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-4520?
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What is the minimum amount of 3448-4520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-4520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-4520
  • 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 3448-4520 available by request