0918-1081 Screening compound: 4-nitro-N-(6-{[2-(4-nitrobenzamido)-1,3-benzothiazol-6-yl]methyl}-1,3-benzothiazol-2-yl)benzamide

0918-1081 Screening compound: 4-nitro-N-(6-{[2-(4-nitrobenzamido)-1,3-benzothiazol-6-yl]methyl}-1,3-benzothiazol-2-yl)benzamide
0918-1081 Screening compound: 4-nitro-N-(6-{[2-(4-nitrobenzamido)-1,3-benzothiazol-6-yl]methyl}-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0918-1081
4-nitro-N-(6-{[2-(4-nitrobenzamido)-1,3-benzothiazol-6-yl]methyl}-1,3-benzothiazol-2-yl)benzamide

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

0918-1081

Molecular Formula

C29H18N6O6S2 (C29 H18 N6 O6 S2)

Compound Name

4-nitro-N-(6-{[2-(4-nitrobenzamido)-1,3-benzothiazol-6-yl]methyl}-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-nitro-N-(6-{[2-(4-nitrobenzamido)-13-benzothiazol-6-yl]methyl}-13-benzothiazol-2-yl)benzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc1nc(ccc(Cc(cc2)cc3c2nc(NC(c(cc2)ccc2[N+]([O-])=O)=O)s3)c2)c2s1)=O)=O

InChI

InChI=1S/C29H18N6O6S2/c36-26(18-3-7-20(8-4-18)34(38)39)32-28-30-22-11-1-16(14-24(22)42-28)13-17-2-12-23-25(15-17)43-29(31-23)33-27(37)19-5-9-21(10-6-19)35(40)41/h1-12,14-15H,13H2,(H,30,32,36)(H,31,33,37)

InChI Key

HTVPFWKLMOCCLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00608254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.63

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

7.211

Distribution Coefficient, logD

7.210

Water Solubility, LogSw

-6.10

Polar Surface Area

132.435

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

0918-1081 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 0918-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0918-1081?
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What is the minimum amount of 0918-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0918-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0918-1081
  • 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 0918-1081 available by request