8013-7256 Screening compound: 2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-28-morpholino-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1~4,7~.1~15,19~.0~5,30~]tritriaconta-1,3,5(30),9,21,23,27-heptaen-13-yl acetate

Chemical Structure Depiction of ChemDiv screening compound 8013-7256
2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-28-morpholino-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1~4,7~.1~15,19~.0~5,30~]tritriaconta-1,3,5(30),9,21,23,27-heptaen-13-yl acetate

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8013-7256

Molecular Formula

C₄₄H₅₆N₂O₁₃ (C44 H56 N2 O13)

Compound Name

2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-28-morpholino-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1~4,7~.1~15,19~.0~5,30~]tritriaconta-1,3,5(30),9,21,23,27-heptaen-13-yl acetate

IUPAC name

(9E21E23Z)-2-hydroxy-11-methoxy-3712141717202432-nonamethyl-28-(morpholin-4-yl)-6252931-tetraoxo-8161833-tetraoxa-26-azapentacyclo[25.3.1.1^{47}.1^{1519}.0^{530}]tritriaconta-135(30)9212327-heptaen-13-yl acetate

SMILES

CC1C(C(C)/C=C/C=C(/C)\C(NC(C(c(c(O)c(C)c(OC2(C)O/C=C/C(C3C)OC)c4C2=O)c4C2=O)=O)=C2N2CCOCC2)=O)OC(C)(C)OC1C(C)C3OC(C)=O

InChI

InChI=1S/C44H56N2O13/c1-21-13-12-14-22(2)42(52)45-32-33(46-16-19-54-20-17-46)36(50)29-30(35(32)49)34(48)24(4)40-31(29)41(51)44(10,59-40)55-18-15-28(53-11)23(3)38(56-27(7)47)26(6)39-25(5)37(21)57-43(8,9)58-39/h12-15,18,21,23,25-26,28,37-39,48H,16-17,19-20H2,1-11H3,(H,45,52)

InChI Key

RKWNQZAGHWKBAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03197011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

820.93

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.809

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-5.49

Polar Surface Area

146.539

Acid Dissociation Constant (pK_a)

5.61

Base Dissociation Constant (pK_b)

3.42

Number of Chiral Centers

9.00

Percent sp³ carbon bonding

56.82

8013-7256 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Infections
Immune system
animal

References: we are preparing a list of scientific research reports with 8013-7256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7256?
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What is the minimum amount of 8013-7256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for 8013-7256
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for 8013-7256

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 8013-7256 available by request